5JG0
Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH and UCP1191
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.22 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 78.875, 78.875, 106.431 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.438 - 1.879 |
R-factor | 0.1806 |
Rwork | 0.176 |
R-free | 0.21720 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.238 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.440 | 1.910 |
High resolution limit [Å] | 1.879 | 1.880 |
Rmerge | 0.483 | |
Number of reflections | 16498 | |
<I/σ(I)> | 41.2 | 5.52 |
Completeness [%] | 99.8 | 97 |
Redundancy | 16.7 | 17.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 0.1M MES, pH 5.0, 0.3M sodium acetate, 17% PEG 10,000, 12.5% gamma-butrylactone |