3M09
F98Y TMP-resistant Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.180, 79.180, 107.880 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.590 - 2.009 |
R-factor | 0.173 |
Rwork | 0.169 |
R-free | 0.20700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.018 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (2.1.1) |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.395 | 42.400 | 2.120 |
High resolution limit [Å] | 2.009 | 6.350 | 2.010 |
Rmerge | 0.034 | 0.403 | |
Total number of observations | 3327 | 14249 | |
Number of reflections | 13953 | ||
<I/σ(I)> | 18.9 | 15.3 | 1.6 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.3 | 6.2 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop | 6.5 | 298 | 15% PEG 6000, 0.15 M sodium acetate, 0.1M MES buffer, pH 6.5, sitting drop, temperature 298K |