1XS2
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 | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2003-08-28 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 4 |
Unit cell lengths | 116.669, 116.669, 120.616 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.300 |
R-factor | 0.17605 |
Rwork | 0.173 |
R-free | 0.23835 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r0m |
RMSD bond length | 0.013 |
RMSD bond angle | 1.328 |
Data reduction software | DENZO |
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 | 71855 | |
<I/σ(I)> | 8.3 | |
Completeness [%] | 98.8 | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 298 | lithium sulfate, PEG 4000, pH 8.5, VAPOR DIFFUSION, temperature 298K |