1XPY
Structural Basis for Catalytic Racemization and Substrate Specificity of an N-Acylamino Acid Racemase Homologue from Deinococcus radiodurans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL12B2 |
Synchrotron site | SPring-8 |
Beamline | BL12B2 |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2003-11-30 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 0.8 |
Spacegroup name | P 4 |
Unit cell lengths | 116.159, 116.159, 120.426 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.17399 |
Rwork | 0.171 |
R-free | 0.22742 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r0m |
RMSD bond length | 0.012 |
RMSD bond angle | 1.321 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.096 | |
Number of reflections | 66037 | |
<I/σ(I)> | 8.6 | |
Completeness [%] | 98.3 | 99.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8 | 298 | lithium sulfate, PEG 4000, pH 8.0, VAPOR DIFFUSION, temperature 298K |