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 | 2020-11-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96546 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.399, 82.128, 46.849 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.883 - 1.450 |
Rwork | 0.157 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fpe |
RMSD bond length | 0.013 |
RMSD bond angle | 1.689 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (7.1.007) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.883 | 1.480 |
High resolution limit [Å] | 1.350 | 1.356 |
Number of reflections | 41308 | 2066 |
<I/σ(I)> | 9.5 | 1.5 |
Completeness [%] | 91.8 | |
Redundancy | 4.6 | |
CC(1/2) | 0.993 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293.15 | 0.1 M HEPES pH 7.5; 1-5 PEG 400; 2-2.5 M Ammonium sulphate |