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 | 2018-04-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96770 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.680, 77.900, 149.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.458 - 2.760 |
Rwork | 0.230 |
R-free | 0.28090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nob |
RMSD bond length | 0.005 |
RMSD bond angle | 1.388 |
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 | 2.830 |
High resolution limit [Å] | 2.760 | 2.760 |
Number of reflections | 13394 | 978 |
<I/σ(I)> | 5.33 | |
Completeness [%] | 99.5 | |
Redundancy | 6.16164 | |
CC(1/2) | 0.979 | 0.498 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 7.5-25% PEG 6000, Bicine, pH = 9.0 |