3TX9
OYE1 complexed with 2-(Hydroxymethyl)-cyclopent-2-enone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-15 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 141.188, 141.188, 42.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.648 - 1.999 |
| R-factor | 0.1859 |
| Rwork | 0.182 |
| R-free | 0.21650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oya |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.062 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_863)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.070 |
| High resolution limit [Å] | 1.800 | 1.990 |
| Rmerge | 0.068 | |
| Number of reflections | 29638 | |
| <I/σ(I)> | 18 | |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 4.2 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 277 | 0.2M MgCl2, 0.1M HEPES, 35-40% PEG400, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
