4Y2W
Crystal structure of a thermostable alanine racemase from Thermoanaerobacter tengcongensis MB4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-04-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.843, 73.077, 218.746 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.700 |
R-factor | 0.2155 |
Rwork | 0.214 |
R-free | 0.25240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sft |
RMSD bond length | 0.004 |
RMSD bond angle | 0.986 |
Data reduction software | HKL-2000 (HKL-2000) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.073 | 0.261 |
Number of reflections | 26832 | |
<I/σ(I)> | 7.3 | 2.7 |
Completeness [%] | 96.6 | 83.4 |
Redundancy | 5.2 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 22% PEG 4000, 0.1M Bis-Tris pH7.0 |