8BPZ
Crystal structure of YopR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2021-05-05 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97934 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 109.081, 109.081, 53.908 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 94.470 - 2.200 |
R-factor | 0.19967 |
Rwork | 0.195 |
R-free | 0.24861 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 8bjv |
RMSD bond length | 0.011 |
RMSD bond angle | 1.406 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (v7.0.28) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 94.470 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmeas | 0.077 | 0.445 |
Rpim | 0.018 | 0.099 |
Total number of observations | 360632 | 55510 |
Number of reflections | 19078 | 2767 |
<I/σ(I)> | 23 | 7 |
Completeness [%] | 100.0 | |
Redundancy | 18.9 | 20.1 |
CC(1/2) | 0.999 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 30.00 % w/v Polyethylene glycol 4,000, 100 mM tri-Sodium citrate; pH 5.6, 100 mM Ammonium sulfate3/D |