Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.035 |
Spacegroup name | P 1 |
Unit cell lengths | 119.242, 119.135, 382.903 |
Unit cell angles | 89.84, 90.00, 119.96 |
Refinement procedure
Resolution | 10.000 - 3.950 |
R-factor | 0.261 |
Rwork | 0.259 |
R-free | 0.29140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6w7t |
RMSD bond length | 0.003 |
RMSD bond angle | 0.775 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 4.130 |
High resolution limit [Å] | 3.950 | 3.950 |
Rpim | 0.205 | |
Number of reflections | 150584 | 19187 |
<I/σ(I)> | 3.2 | 1.2 |
Completeness [%] | 94.0 | 93 |
Redundancy | 1.6 | |
CC(1/2) | 0.350 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 0.1 M succinic acid, 15% w/v PEG 3350 |