3HM7
Crystal structure of allantoinase from Bacillus halodurans C-125
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2008-10-04 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 157.658, 157.658, 418.026 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.600 |
| R-factor | 0.24054 |
| Rwork | 0.240 |
| R-free | 0.26730 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.268 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.116 | 0.560 |
| Number of reflections | 94850 | |
| <I/σ(I)> | 4 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 12.3 | 10.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 100MM HEPES PH 7.5, 36% PEG 400, 300MM MAGNESIUM CHLORIDE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
