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 | 2017-11-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03285 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.010, 77.080, 148.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.658 - 2.400 |
Rwork | 0.205 |
R-free | 0.24570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nob |
RMSD bond length | 0.004 |
RMSD bond angle | 1.275 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 19583 | 1441 |
<I/σ(I)> | 11.03 | |
Completeness [%] | 99.9 | |
Redundancy | 6.505 | |
CC(1/2) | 0.998 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 7.5-25% PEG 6000, Bicine, pH = 9.0 |