6L0P
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Phosphoserine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-15 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 0.9 |
Spacegroup name | P 43 |
Unit cell lengths | 75.360, 75.360, 276.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.360 - 1.790 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.18370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDBID 5B3A |
RMSD bond length | 0.012 |
RMSD bond angle | 1.778 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.360 | 1.890 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.161 | 0.954 |
Number of reflections | 142881 | 20819 |
<I/σ(I)> | 6.5 | 1.8 |
Completeness [%] | 100.0 | |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | 0.1 M sodium N-2-hydroxyethylpiperazine-N'-2-ethanesulfonate buffer, pH 8.2 (7.9), 29% (v/v) 2-propanol, 13% (11%) (v/v) polyethylene glycol 4,000, and 11 mM TCEP-HCl |