3SRQ
S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.143, 79.143, 107.190 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.920 - 1.690 |
R-factor | 0.1768 |
Rwork | 0.175 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.552 |
Data reduction software | MOSFLM (3.2.17) |
Phasing software | PHASER (2.1.1) |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 15.920 |
High resolution limit [Å] | 1.690 |
Number of reflections | 22026 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | PEG 8000, Mg acetate, MPD, ADA buffer, pH 6.2, vapor diffusion, hanging drop, temperature 298K |