7M1H
Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-02 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979200 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 77.590, 93.983, 231.748 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 115.870 - 2.780 |
R-factor | 0.2184 |
Rwork | 0.217 |
R-free | 0.24880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v0a |
RMSD bond length | 0.002 |
RMSD bond angle | 0.462 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER (1.14_3260) |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 115.870 | 2.880 |
High resolution limit [Å] | 2.780 | 2.780 |
Rpim | 0.082 | 0.834 |
Number of reflections | 43577 | 4390 |
<I/σ(I)> | 11.1 | 1.1 |
Completeness [%] | 99.6 | |
Redundancy | 6.7 | |
CC(1/2) | 0.996 | 0.527 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 2.4 M sodium malonate, 0.1 M Bis-Tris pH 7.0 |