4ME6
Crystal structure of D-alanine-D-alanine ligase A from Xanthomonas oryzae pathovar oryzae with ADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 200 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 83.236, 83.236, 98.277 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.320 - 2.100 |
R-factor | 0.1976 |
Rwork | 0.192 |
R-free | 0.25068 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e5n |
RMSD bond length | 0.016 |
RMSD bond angle | 1.669 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 20817 | |
<I/σ(I)> | 8.9 | |
Completeness [%] | 99.5 | 98.9 |
Redundancy | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 287 | 15% (w/v) PEG 4000, 0.1M Tris (pH 8.5), 0.2M MgCl2, 0.3M dimethylethyl-(3-sulfopropyl)-ammonium, VAPOR DIFFUSION, SITTING DROP, temperature 287K |