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 |