4Q67
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-01-11 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54178 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.260, 79.260, 107.420 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.180 - 2.040 |
R-factor | 0.1779 |
Rwork | 0.175 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3fqo |
RMSD bond length | 0.007 |
RMSD bond angle | 1.205 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.300 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.070 | 0.340 |
Number of reflections | 12466 | |
<I/σ(I)> | 16.9 | 5.6 |
Completeness [%] | 99.0 | 98.8 |
Redundancy | 10.22 | 1044 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 0.1M Sodium Acetate, 0.1M MES, 0.15%, 13% PEG 10,000, gamma-butyrolacetone, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |