2OTN
Crystal structure of the catalytically active form of diaminopimelate epimerase from Bacillus anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-09-15 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.863, 87.334, 110.453 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.230 - 2.400 |
R-factor | 0.184 |
Rwork | 0.180 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gqz |
RMSD bond length | 0.011 |
RMSD bond angle | 1.329 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.074 | 0.488 |
Number of reflections | 24966 | |
<I/σ(I)> | 23.6 | 3.1 |
Completeness [%] | 98.9 | |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.6 | 293 | 0.2 M ammonium formate, 20% PEG 3350, 3% ethylene glycol, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.60 |