3DXV
The crystal structure of alpha-amino-epsilon-caprolactam racemase from Achromobacter obae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.547, 61.063, 105.227 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 19.960 - 2.210 |
| R-factor | 0.19976 |
| Rwork | 0.197 |
| R-free | 0.24522 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sft |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.274 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.108 | 0.494 |
| Number of reflections | 35281 | |
| Completeness [%] | 99.6 | 98.2 |
| Redundancy | 5.9 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 293 | 25% PEG4000, 0.17M magnesium chloride, 0.08M Tris/HCl (pH8.7), 5% Sucrose, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
