3FRA
Staphylococcus aureus F98Y DHFR complexed with iclaprim
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.200, 79.200, 108.531 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.350 |
R-factor | 0.22636 |
Rwork | 0.223 |
R-free | 0.29408 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.320 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.500 |
High resolution limit [Å] | 2.350 | 2.350 |
Number of reflections | 8774 | |
Completeness [%] | 98.6 | 91.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 25% PEG 3350, 200mM NaCl, 100mM bis-Tris, pH5.5 |