4FS9
Complex structure of a broad specificity amino acid racemase (Bar) within the reactive intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL12B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL12B2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-05-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 142.418, 118.109, 74.024 |
| Unit cell angles | 90.00, 99.87, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| R-factor | 0.17694 |
| Rwork | 0.175 |
| R-free | 0.21892 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dyj |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.376 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 21656 | |
| Completeness [%] | 98.1 | 98.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 293 | 0.1M bicine (pH9.0), 0.1M NaCl, 20% PEG-MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
