4Q6A
Staphylococcus aureus V31L, F98Y Mutant Dihydrofolate Reductase Complexed with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-20 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97915 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.331, 79.331, 107.530 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.351 - 2.099 |
R-factor | 0.1668 |
Rwork | 0.165 |
R-free | 0.20630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3f0u |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.351 | 2.140 |
High resolution limit [Å] | 2.099 | 2.100 |
Rmerge | 0.094 | 0.354 |
Number of reflections | 11649 | |
<I/σ(I)> | 20 | |
Completeness [%] | 99.9 | 0.993 |
Redundancy | 13.6 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1M MES, pH 6.0, 13% PEG 10,000, 0.3M Sodium Acetate, 5% gamma-butyrolacetone, VAPOR DIFFUSION, HANGING DROP, temperature 277K |