5OPN
Crystal structure of R39Q cN-II mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 91.469, 127.115, 130.218 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.450 - 1.770 |
R-factor | 0.1799 |
Rwork | 0.179 |
R-free | 0.20010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5k7y |
RMSD bond length | 0.012 |
RMSD bond angle | 1.490 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.450 | 1.870 |
High resolution limit [Å] | 1.766 | 1.770 |
Rmerge | 0.054 | 0.612 |
Rmeas | 0.063 | 0.710 |
Number of reflections | 73833 | 11758 |
<I/σ(I)> | 16.7 | 1.91 |
Completeness [%] | 99.1 | 98.9 |
Redundancy | 4.6 | 3.81 |
CC(1/2) | 0.999 | 0.719 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0.1 M MES/imidazole pH 6.5; 0.02 M of each carboxylic acid; 10% w/v PEG 20 000, 20% v/v PEG MME 550 G1 Morpheus condition |