Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.195, 86.938, 99.494 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.980 - 2.900 |
R-factor | 0.267 |
Rwork | 0.263 |
R-free | 0.33490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.070 | 13.500 | 2.980 |
High resolution limit [Å] | 2.900 | 12.970 | 2.900 |
Rmerge | 0.094 | ||
Rmeas | 0.103 | ||
Number of reflections | 15507 | 187 | 1096 |
<I/σ(I)> | 4.09 | ||
Completeness [%] | 99.6 | ||
Redundancy | 6.1 | ||
CC(1/2) | 0.930 | 0.995 | 0.591 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 10% PEG 8000, 0.1 IMIDAZOLE PH 6.8, 0.1 SODIUM ACETATE, 0.005 M YBCL3 |