Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.301, 67.420, 80.355 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.700 - 2.190 |
R-factor | 0.23828 |
Rwork | 0.236 |
R-free | 0.29185 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zr0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.700 | 2.250 |
High resolution limit [Å] | 2.190 | 2.190 |
Number of reflections | 17261 | 1428 |
<I/σ(I)> | 6.3 | |
Completeness [%] | 99.8 | |
Redundancy | 5.3 | |
CC(1/2) | 0.985 | 0.556 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2 M lithium sulfate, 0.1 M sodium acetate trihydrate pH 3.5, 32 % PEG6000 |