Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-11 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.8 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.758, 95.191, 150.489 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.641 - 2.000 |
Rwork | 0.182 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fax |
RMSD bond length | 0.010 |
RMSD bond angle | 1.615 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.641 | 2.040 |
High resolution limit [Å] | 2.000 | 2.000 |
Rpim | 0.018 | 0.342 |
Number of reflections | 76835 | 4462 |
<I/σ(I)> | 25.3 | 2.3 |
Completeness [%] | 99.1 | |
Redundancy | 29.5 | |
CC(1/2) | 0.999 | 0.775 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | PEG 8000, cacodylate |