5N0X
Crystal structure of OphA-DeltaC6 in complex with SAM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-25 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9281 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.740, 101.960, 121.266 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 78.040 - 1.670 |
R-factor | 0.1973 |
Rwork | 0.196 |
R-free | 0.22429 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n0o |
RMSD bond length | 0.010 |
RMSD bond angle | 1.344 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.040 | 1.700 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.045 | 0.948 |
Number of reflections | 104957 | |
<I/σ(I)> | 12.3 | 1.3 |
Completeness [%] | 99.8 | 98.2 |
Redundancy | 4.3 | 4.4 |
CC(1/2) | 0.998 | 0.636 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.02 % octyl beta-D-glucopyranoside (OG), 0.2 M KCl, 0.1 M Bis-Tris pH 6.5 and 20% PEG 4000 |