Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.976 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 53.581, 54.156, 62.551 |
Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
Resolution | 42.420 - 1.640 |
R-factor | 0.1949 |
Rwork | 0.194 |
R-free | 0.22220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xe1 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.216 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.420 | 1.730 |
High resolution limit [Å] | 1.640 | 1.640 |
Rmerge | 0.076 | 0.792 |
Rpim | 0.038 | 0.404 |
Number of reflections | 21583 | 3058 |
<I/σ(I)> | 10.4 | 2.4 |
Completeness [%] | 99.2 | 97.3 |
Redundancy | 5.6 | 5.5 |
CC(1/2) | 0.998 | 0.848 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 200 mM potassium thioycyanate, 25% PEG 3350. |