4NJI
Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 119.126, 119.126, 104.310 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.892 - 2.197 |
| R-factor | 0.1541 |
| Rwork | 0.153 |
| R-free | 0.18010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4njg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.970 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.900 | 2.280 |
| High resolution limit [Å] | 2.197 | 2.197 |
| Number of reflections | 38406 | |
| <I/σ(I)> | 12.1 | 4.1 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 4.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 277 | anaerobic, 1.8-2.2 M sodium dipotassium phosphate, pH 6.8, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
