6B0J
Crystal structure of Ps i-CgsB in complex with k-i-k-neocarrahexaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 123.390, 123.390, 240.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 109.750 - 2.500 |
R-factor | 0.2155 |
Rwork | 0.214 |
R-free | 0.23370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hdh |
RMSD bond length | 0.008 |
RMSD bond angle | 1.391 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.800 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.174 | 0.780 |
Rpim | 0.067 | 0.311 |
Number of reflections | 63124 | 63124 |
<I/σ(I)> | 2.5 | |
Completeness [%] | 97.7 | |
Redundancy | 6.9 | |
CC(1/2) | 0.992 | 0.778 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.65 | 291 | PEG 3350, citric acid, arginine |