5OUF
Crystal structure of OphA-DeltaC6 mutant W400A in complex with Sinefungin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.7 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 85.540, 91.940, 162.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.550 - 1.700 |
R-factor | 0.16639 |
Rwork | 0.165 |
R-free | 0.19155 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n0o |
RMSD bond length | 0.008 |
RMSD bond angle | 1.374 |
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] | 49.550 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.064 | 1.730 |
Number of reflections | 70395 | |
<I/σ(I)> | 14.1 | 1.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.5 | 7.7 |
CC(1/2) | 0.999 | 0.470 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.3-0.4 M KSCN, 0.1 M Bicine pH 8.5, 1.3-1.5 M sodium malonate |