4NJG
Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet and 6-carboxypterin
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 | 2011-07-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.990 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 118.956, 118.956, 101.952 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.164 - 2.598 |
| R-factor | 0.184 |
| Rwork | 0.183 |
| R-free | 0.21050 |
| Structure solution method | Fe-SAD |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.602 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 2.690 |
| High resolution limit [Å] | 2.598 | 2.598 |
| Number of reflections | 22950 | |
| <I/σ(I)> | 18 | 2.5 |
| Completeness [%] | 90.0 | 99.4 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 294 | anaerobic, 2.0 M sodium dipotassium phosphate, pH 6.8, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
