7BVK
UDP-N-acetylglucosamine 3-dehydrogenase GnnA from Acidithiobacillus ferrooxidans (P212121)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.999999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.535, 80.489, 104.272 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.760 - 2.700 |
R-factor | 0.2195 |
Rwork | 0.215 |
R-free | 0.29370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7bvj |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.760 | 19.760 | 2.830 |
High resolution limit [Å] | 2.700 | 8.960 | 2.700 |
Rmerge | 0.213 | 0.135 | 1.002 |
Rmeas | 0.230 | 0.148 | 1.079 |
Rpim | 0.086 | 0.059 | 0.397 |
Total number of observations | 125291 | 2967 | 16748 |
Number of reflections | 17552 | 492 | 2292 |
<I/σ(I)> | 6.5 | 11.5 | 2.3 |
Completeness [%] | 99.7 | 90.6 | 100 |
Redundancy | 7.1 | 6 | 7.3 |
CC(1/2) | 0.990 | 0.987 | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 5.5 | 289 | 100 mM Bis-Tris, 200 mM Ammonium Sulfate, 25% PEG 3350 |