6BIA
Crystal structure of Ps i-CgsB
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-30 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 133.850, 133.850, 223.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 114.860 - 2.800 |
R-factor | 0.2397 |
Rwork | 0.238 |
R-free | 0.26530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b0k |
RMSD bond length | 0.008 |
RMSD bond angle | 1.237 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 114.860 | 2.890 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.143 | 0.587 |
Rpim | 0.074 | 0.356 |
Number of reflections | 50781 | 4582 |
<I/σ(I)> | 13.7 | 2.3 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 7.4 | 5 |
CC(1/2) | 0.993 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.65 | 291 | PEG 3350, citric acid, arginine |