5ISP
Staphylococcus aureus F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.129, 79.129, 107.405 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.850 - 1.840 |
R-factor | 0.1818 |
Rwork | 0.180 |
R-free | 0.20960 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.251 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.850 |
High resolution limit [Å] | 1.840 |
Number of reflections | 17979 |
<I/σ(I)> | 48.4 |
Completeness [%] | 99.9 |
Redundancy | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M MES pH 6.0, 0.2M Sodium Acetate, 13% PEG 10,000, 20% gamma-butyrolactone and 14.25 mg/mL |