Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-27 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.9798 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.541, 83.541, 139.173 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.034 - 2.421 |
R-factor | 0.1748 |
Rwork | 0.173 |
R-free | 0.21850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xne |
RMSD bond length | 0.009 |
RMSD bond angle | 1.205 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.510 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.104 | 0.585 |
Number of reflections | 19453 | 1906 |
<I/σ(I)> | 30.16 | 7.21 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 12.2 | 11.7 |
CC(1/2) | 0.999 | 0.930 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 20%(v/v)1,4-Butanediol, 100mM Sodium acetate/Acetic acid pH4.5 |