4DYJ
Crystal structure of a broad specificity amino acid racemase (Bar) within internal aldimine linkage
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-03-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.252, 118.740, 77.780 |
Unit cell angles | 90.00, 100.71, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.450 |
R-factor | 0.1609 |
Rwork | 0.158 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Se-Met model |
RMSD bond length | 0.017 |
RMSD bond angle | 1.469 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Number of reflections | 46692 | |
Completeness [%] | 81.8 | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris-HCl, 2.0M Ammonium-Sulfate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |