Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-22 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0722 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 158.477, 158.477, 158.477 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.620 - 2.800 |
R-factor | 0.2345 |
Rwork | 0.232 |
R-free | 0.27370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6zm9 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.460 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.620 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmeas | 0.125 | 0.939 |
Number of reflections | 4409 | 634 |
<I/σ(I)> | 9.6 | 1.8 |
Completeness [%] | 97.7 | 98.5 |
Redundancy | 5.2 | 5.3 |
CC(1/2) | 0.993 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.5 M ammonium phosphate |