5B19
Picrophilus torridus aspartate racemase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 111.506, 111.506, 111.506 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.620 - 1.851 |
| R-factor | 0.2403 |
| Rwork | 0.239 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s81 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.113 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.146 | 0.843 |
| Number of reflections | 38749 | |
| <I/σ(I)> | 40.2 | 5.2 |
| Completeness [%] | 97.3 | 100 |
| Redundancy | 21 | 20.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | polyethylene glycol 3400, potassium/sodium tartrate, L-aspartate |
