3WTB
Crystal structure of Gox0525
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 58.061, 56.033, 263.992 |
| Unit cell angles | 90.00, 93.20, 90.00 |
Refinement procedure
| Resolution | 49.730 - 2.200 |
| R-factor | 0.15616 |
| Rwork | 0.155 |
| R-free | 0.18555 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3a28 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.720 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 80342 | |
| Completeness [%] | 97.0 | 77.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
