4AP9
Crystal structure of phosphoserine phosphatase from T. onnurineus in complex with NDSB-201
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 294 |
| Collection date | 2011-02-18 |
| Spacegroup name | P 4 |
| Unit cell lengths | 128.131, 128.131, 63.077 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.651 - 1.783 |
| R-factor | 0.1964 |
| Rwork | 0.195 |
| R-free | 0.22060 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.059 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE (RESOLVE) |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.650 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.070 | 0.460 |
| Number of reflections | 91927 | |
| <I/σ(I)> | 21.4 | 2.7 |
| Completeness [%] | 94.2 | 98.1 |
| Redundancy | 4.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 1.45M SODIUM CITRATE, 0.2M NDSB-201, pH 6.5 |
