3QVK
Allantoin racemase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 124.896, 124.896, 126.972 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 108.160 - 1.999 |
R-factor | 0.222 |
Rwork | 0.221 |
R-free | 0.24560 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 0.927 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 108.163 | 50.000 | 2.070 |
High resolution limit [Å] | 1.999 | 4.310 | 1.999 |
Rmerge | 0.096 | 0.059 | 0.381 |
Number of reflections | 39452 | ||
<I/σ(I)> | 13.3 | ||
Completeness [%] | 98.3 | 95.2 | 98.2 |
Redundancy | 5 | 4.8 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.9 | 291 | 30% Peg 400, 0.1 M sodium acetate pH 3.9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |