7T7Q
R-27 In Complex with S. aureus DHFR and alpha-NADPH - Remediated for comparison with tNADPH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.10 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 78.875, 78.875, 107.993 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.846 - 2.200 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.25430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0q |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.098 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.880 | 2.420 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.160 | 0.900 |
| Number of reflections | 10390 | 866 |
| <I/σ(I)> | 20.81 | |
| Completeness [%] | 98.0 | 92 |
| Redundancy | 18.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M MES pH 6.25, 0.1M Sodium Acetate, 13% PEG 10,000, 0.5% gamma-Butrylactone |
