Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 3 |
Unit cell lengths | 81.391, 81.391, 60.423 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 26.640 - 1.901 |
Rwork | 0.171 |
R-free | 0.18750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nek |
RMSD bond length | 0.011 |
RMSD bond angle | 1.262 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.000 | 1.969 |
High resolution limit [Å] | 1.900 | 1.901 |
Rmeas | 0.105 | 0.540 |
Number of reflections | 35138 | 3505 |
<I/σ(I)> | 23.61 | |
Completeness [%] | 99.5 | 98.43 |
Redundancy | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 10% PEG6000, 0.1 M sodium citrate tribasic dehydrate pH 5.0 |