3WJ7
Crystal structure of gox2253
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 | 2010-10-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.009 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 127.026, 159.253, 125.402 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.040 - 2.600 |
| R-factor | 0.20473 |
| Rwork | 0.201 |
| R-free | 0.27292 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.869 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.497 | |
| Number of reflections | 37342 | |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | PEG 600, LiCl, Sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
