4NJJ
Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet, 6-carboxy-5,6,7,8-tetrahydropterin, and Manganese(II)
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 | 2012-04-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.7399 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 119.174, 119.174, 105.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.163 - 2.700 |
R-factor | 0.1626 |
Rwork | 0.161 |
R-free | 0.19980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4njg |
RMSD bond length | 0.004 |
RMSD bond angle | 0.773 |
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] | 48.200 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 21371 | |
<I/σ(I)> | 27.7 | 3.9 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 8.6 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | anaerobic, crystals formed in 2.0 M sodium dipotassium phosphate, pH 6.8, 0.1 M sodium acetate, pH 4.5, buffer-exchanged into 0.1 M HEPES, 30% v/v Jeffamine ED-2001, pH 7.0, 0.1 M manganese sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 277K |