6L0R
Crystal Structure of the O-Phosphoserine Sulfhydrylase from Aeropyrum pernix Complexed with O-Acetylserine
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 | 74.460, 74.460, 275.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 74.460 - 1.790 |
R-factor | 0.1457 |
Rwork | 0.145 |
R-free | 0.14980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b3a |
RMSD bond length | 0.012 |
RMSD bond angle | 1.684 |
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] | 74.460 | 1.890 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.169 | 0.835 |
Number of reflections | 139467 | 20355 |
<I/σ(I)> | 6.7 | 2.1 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 |
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 |