2W1M

THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 2.070 A WAVELENGTH with 2theta 30 degrees data

Summary for 2W1M

• Entry DOI: 10.2210/pdb2w1m/pdb
• Related: 132L 193L 194L 1A2Y 1AKI 1AT5 1AT6 1AZF 1B0D 1B2K 1BGI 1BHZ 1BVK 1BVX 1BWH 1BWI 1BWJ 1C08 1C10 1DPW 1DPX 1DQJ 1E8L 1F0W 1F10 1F3J 1FDL 1FLQ 1FLU 1FLW 1FLY 1FN5 1G7H 1G7I 1G7J 1G7L 1G7M 1GPQ 1GWD 1GXV 1GXX 1H6M 1H87 1HC0 1HEL 1HEM 1HEN 1HEO 1HEP 1HEQ 1HER 1HEW 1HF4 1HSW 1HSX 1IC4 1IC5 1IC7 1IEE 1IO5 1IOQ 1IOR 1IOS 1IOT 1IR7 1IR8 1IR9 1J1O 1J1P 1J1X 1JA2 1JA4 1JA6 1JA7 1JIS 1JIT 1JIY 1JJ0 1JJ1 1JJ3 1JPO 1JTO 1JTT 1KIP 1KIQ 1KIR 1KXW 1KXX 1KXY 1LCN 1LJ3 1LJ4 1LJE 1LJF 1LJG 1LJH 1LJI 1LJJ 1LJK 1LKR 1LKS 1LMA 1LPI 1LSA 1LSB 1LSC 1LSD 1LSE 1LSF 1LSG 1LSM 1LSN 1LSY 1LSZ 1LYO 1LYS 1LYZ 1LZ8 1LZ9 1LZA 1LZB 1LZC 1LZD 1LZE 1LZG 1LZH 1LZN 1LZT 1MEL 1MLC 1N4F 1NBY 1NBZ 1NDG 1NDM 1P2C 1PS5 1QIO 1QTK 1RCM 1RFP 1RI8 1RJC 1SF4 1SF6 1SF7 1SFB 1SFG 1SQ2 1T3P 1T6V 1UA6 1UC0 1UCO 1UIA 1UIB 1UIC 1UID 1UIE 1UIF 1UIG 1UIH 1UUZ 1V7S 1V7T 1VAT 1VAU 1VDP 1VDQ 1VDS 1VDT 1VED 1VFB 1W6Z 1WTM 1WTN 1XEI 1XEJ 1XEK 1XFP 1XGP 1XGQ 1YIK 1YIL 1YKX 1YKY 1YKZ 1YL0 1YL1 1YQV 1Z55 1ZMY 2A6U 2A7D 2A7F 2AUB 2B5Z 2BLX 2BLY 2BPU 2C8O 2C8P 2CDS 2CGI 2D4I 2D4J 2D4K 2D6B 2D91 2FBB 2HFM 2IFF 2LYM 2LYO 2LYZ 2LZH 2LZT 2VB1 2W1L 3HFM 3LYM 3LYO 3LYT 3LYZ 3LZT 4LYM 4LYO 4LYT 4LYZ 4LZT 5LYM 5LYT 5LYZ 6LYT 6LYZ 7LYZ 8LYZ
• Descriptor: LYSOZYME C, CHLORIDE ION, SODIUM ION, ... (4 entities in total)
• Functional Keywords: radiation damage, redundancy, sad, dose, hydrolase, wavelength, detector- tilt geometry
• Biological source: GALLUS GALLUS (CHICKEN)
• Cellular location: Secreted: P00698
• Total number of polymer chains: 1
• Total formula weight: 14637.77

Authors

Cianci, M.,Helliwell, J.R.,Suzuki, A. (deposition date: 2008-10-17, release date: 2008-11-04, Last modification date: 2024-10-23)

Primary citation

Cianci, M.,Helliwell, J.R.,Suzuki, A.
The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64:1196-, 2008

PubMed Abstract: In the last decade, the popularity of sulfur SAD anomalous dispersion experiments has spread rapidly among synchrotron users as a quick and streamlined way of solving the phase problem in macromolecular crystallography. On beamline 10 at SRS (Daresbury Laboratory, UK), a versatile design has allowed test data sets to be collected at six wavelengths between 0.979 and 2.290 A in order to evaluate the importance and the interdependence of experimental variables such as the Bijvoet ratio, wavelength, resolution limit, data redundancy and absorbed X-ray dose in the sample per data set. All the samples used in the experiments were high-quality hen egg-white lysozyme crystals. X-radiation damage was found to affect disulfide bridges after the crystals had been given a total dose of 0.20 x 10(7) Gy. However, with such a total dose, it was still possible in all cases to find a strategy to collect data sets to determine the sulfur substructure and produce good-quality phases by choosing an optimum combination of wavelength, exposure time and redundancy. A |Delta(ano)|/sigma(Delta(ano)) greater than 1.5 for all resolution shells was a necessary requirement for successful sulfur SAD substructure location. Provided this is achieved, it seems possible to find an optimum compromise between wavelength, redundancy and dose to provide phasing information. The choice of the wavelength should then follow the sample composition and the diffracting properties of the crystal. For strongly diffracting crystals, wavelengths equal or shorter than 1.540 A can be selected to capture the available data (provided the Bijvoet ratio is reasonable), while a longer wavelength, to gain as high a Bijvoet ratio as possible, must be used for more weakly diffracting crystals. These results suggest that an approach to a sulfur SAD experiment based on a complete description of the crystal system and the instrument for data collection is useful.

PubMed: 19018096
DOI: 10.1107/S0907444908030503

Experimental method

X-RAY DIFFRACTION (1.78 Å)