3E6E
Crystal structure of Alanine racemase from E.faecalis complex with cycloserine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 4A |
Synchrotron site | PAL/PLS |
Beamline | 4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 94.597, 156.186, 146.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.22 |
Rwork | 0.210 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3e5p |
RMSD bond length | 0.008 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.110 | 0.259 |
Number of reflections | 35274 | |
<I/σ(I)> | 14.9 | 2.84 |
Completeness [%] | 92.8 | 88.4 |
Redundancy | 5.1 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | PEG8k, ca(OAc)2, Hepes, SCP, cyclohexyl-methyl-beta-d-maltoside, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |