4NJK
Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 7-carboxy-7-deazaguanine, and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97920 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 118.790, 118.790, 102.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.182 - 1.911 |
| R-factor | 0.1543 |
| Rwork | 0.153 |
| R-free | 0.18320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4njg |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.522 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.200 | 1.980 |
| High resolution limit [Å] | 1.910 | 1.910 |
| Number of reflections | 55525 | |
| <I/σ(I)> | 29.2 | 2.8 |
| Completeness [%] | 96.8 | 94.7 |
| Redundancy | 5.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 277 | anaerobic, 1.8 M sodium dipotassium phosphate, pH 6.8, 0.1 M acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
