3QVL
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 | 124.955, 124.955, 126.954 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 108.210 - 1.822 |
| R-factor | 0.2081 |
| Rwork | 0.207 |
| R-free | 0.22190 |
| 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] | 108.210 | 50.000 | 1.890 |
| High resolution limit [Å] | 1.820 | 3.920 | 1.820 |
| Rmerge | 0.070 | 0.049 | 0.301 |
| Number of reflections | 52509 | ||
| <I/σ(I)> | 13.3 | ||
| Completeness [%] | 99.9 | 99 | 100 |
| Redundancy | 15.3 | 14.6 | 11.3 |
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 |
