4NJH
Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet and 6-carboxy-5,6,7,8-tetrahydropterin
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 | 2012-04-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 119.129, 119.129, 103.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.005 - 1.898 |
R-factor | 0.1481 |
Rwork | 0.147 |
R-free | 0.17400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4njg |
RMSD bond length | 0.008 |
RMSD bond angle | 1.124 |
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] | 39.005 | 1.970 |
High resolution limit [Å] | 1.898 | 1.898 |
Number of reflections | 58585 | |
<I/σ(I)> | 15.7 | 2.8 |
Completeness [%] | 99.0 | 99.9 |
Redundancy | 4.6 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 277 | anaerobic, 2.0 M sodium dipotassium phosphate, pH 6.8, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |