3X44
Crystal structure of O-ureido-L-serine-bound K43A mutant of O-ureido-L-serine synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.350, 80.260, 74.670 |
| Unit cell angles | 90.00, 117.96, 90.00 |
Refinement procedure
| Resolution | 29.870 - 1.900 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.112 | 0.425 |
| Number of reflections | 44755 | |
| <I/σ(I)> | 12.5 | 2.2 |
| Completeness [%] | 96.0 | 82.4 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 298 | Tris-HCl, polyethylene glycol 8,000, sodium acetate, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
