1O12
Crystal structure of N-acetylglucosamine-6-phosphate deacetylase (TM0814) from Thermotoga maritima at 2.5 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-06-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97903, 0.91837, 0.97874 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 85.070, 85.070, 206.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.530 - 2.500 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.25100 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.620 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.533 | 2.570 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 30706 | |
| <I/σ(I)> | 19 | 5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.7 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 293 | 10 % PEG 6000, 1.0 M LiCl, 0.1 M Citric Acid, pH 5.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K, pH 5.00 |
