2BLX
HEWL before a high dose x-ray "burn"
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 77.325, 77.325, 38.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.400 |
| R-factor | 0.132 |
| Rwork | 0.130 |
| R-free | 0.16900 |
| Structure solution method | OTHER |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.866 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.360 |
| High resolution limit [Å] | 1.280 | 1.280 |
| Rmerge | 0.050 | 0.300 |
| Number of reflections | 30260 | |
| <I/σ(I)> | 24.14 | 4.9 |
| Completeness [%] | 99.7 | 98.8 |
| Redundancy | 7.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 30 % PEG 5000 MME,1 M SODIUM CHLORIDE, 50 MM PH 4.5 SODIUM ACETATE |
