4XBJ
Y274F alanine racemase from E. coli inhibited by l-ala-p
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 2014-11-28 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 6 |
Unit cell lengths | 147.978, 147.978, 163.578 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.900 - 2.250 |
R-factor | 0.16914 |
Rwork | 0.167 |
R-free | 0.20217 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wr3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.142 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.910 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Rpim | 0.088 | 0.432 |
Number of reflections | 95615 | |
<I/σ(I)> | 10.7 | 2 |
Completeness [%] | 99.7 | 97 |
Redundancy | 11.4 | 10.2 |
CC(1/2) | 0.992 | 0.617 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 0.1 M HEPES pH 7.0, 1.6 M ammonium sulfate |