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 | 2015-03-02 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.919762 |
Spacegroup name | P 63 |
Unit cell lengths | 75.890, 75.890, 177.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.900 - 2.430 |
R-factor | 0.2378 |
Rwork | 0.237 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5m38 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.4 (11-DEC-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.900 | 2.570 |
High resolution limit [Å] | 2.430 | 2.430 |
Number of reflections | 21834 | 3454 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 99.7 | |
Redundancy | 21.1 | |
CC(1/2) | 0.991 | 0.777 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES, pH 5.5-6.5 0.6-1 M ammonium sulfate |