3MXT
Crystal Structure of Pantoate-Beta-alanine Ligase from Campylobacter jejuni
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-09 |
Detector | ADSC QUANTUM 210r |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 83.314, 83.314, 148.680 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.490 - 1.850 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19800 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.264 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 26799 | |
<I/σ(I)> | 21.6 | 3.91 |
Completeness [%] | 99.8 | 100 |
Redundancy | 15.2 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 289 | 0.2 M magnesium chloride, 0.1 Tris pH 8.5, 20 % w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |