6PSO
Crystal structure of PsS1_19B C77S in complex with iota-neocarratetraose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-20 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54187 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.264, 93.995, 170.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.010 - 2.000 |
R-factor | 0.1989 |
Rwork | 0.197 |
R-free | 0.23060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6prm |
RMSD bond length | 0.007 |
RMSD bond angle | 1.548 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.050 | 0.087 |
Number of reflections | 70964 | 4544 |
<I/σ(I)> | 25.6 | |
Completeness [%] | 99.6 | |
Redundancy | 3.7 | |
CC(1/2) | 0.997 | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | PEG 3350, ZnCl2, gly-gly, glycerol |