6PSM
Crystal structure of PsS1_19B C77S in complex with kappa-neocarrabiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 31 |
Unit cell lengths | 93.050, 93.050, 300.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.190 - 1.950 |
R-factor | 0.1934 |
Rwork | 0.192 |
R-free | 0.21220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6prm |
RMSD bond length | 0.008 |
RMSD bond angle | 1.430 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.190 | 1.980 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 1.178 | |
Number of reflections | 211230 | 10521 |
<I/σ(I)> | 12.6 | |
Completeness [%] | 99.7 | |
Redundancy | 11.6 | |
CC(1/2) | 0.995 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 3350, ZnCl2, gly-gly, glycerol |