2GKE
Crystal structure of diaminopimelate epimerase in complex with an irreversible inhibitor LL-AziDAP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-25 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.115869 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 96.394, 104.020, 59.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.350 |
R-factor | 0.13906 |
Rwork | 0.138 |
R-free | 0.16831 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.508 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Number of reflections | 63225 | |
Completeness [%] | 95.2 | 86.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.8 M sodium acetate and 0.1 M HEPES (pH 7.0), VAPOR DIFFUSION, HANGING DROP, temperature 298K |