3NZG
Crystal structure of a putative racemase with Mg ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-15 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 132.144, 165.408, 165.666 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.221 |
Rwork | 0.221 |
R-free | 0.24400 |
Structure solution method | MIR |
Starting model (for MR) | 3mkc |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.074 | 0.435 |
Number of reflections | 122663 | |
<I/σ(I)> | 10.4 | 7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.8 | 14.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 290 | 0.15M DL-Malic acid, 20% PEG 3350, 20mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K |