7FD6
Crystal structure of SmChiA in complex with 6a
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 | 2017-06-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97778 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 132.525, 202.186, 59.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.920 - 1.790 |
R-factor | 0.1669 |
Rwork | 0.166 |
R-free | 0.19020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1edq |
RMSD bond length | 0.003 |
RMSD bond angle | 0.601 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.920 | 1.850 |
High resolution limit [Å] | 1.786 | 1.786 |
Number of reflections | 74412 | 6152 |
<I/σ(I)> | 14.76 | |
Completeness [%] | 97.8 | |
Redundancy | 8.6 | |
CC(1/2) | 0.997 | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 277.15 | 0.75 M sodium citrate, 20% (v/v) methanol |