5NGI
Structure of XcpQN012
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.93 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.400, 122.250, 55.440 |
Unit cell angles | 90.00, 109.06, 90.00 |
Refinement procedure
Resolution | 48.160 - 2.980 |
R-factor | 0.2026 |
Rwork | 0.201 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e9j |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.200 | 3.160 |
High resolution limit [Å] | 2.980 | 2.980 |
Rmerge | 0.058 | 0.700 |
Number of reflections | 10400 | 1659 |
<I/σ(I)> | 14.9 | 2 |
Completeness [%] | 99.3 | 98.2 |
Redundancy | 4.5 | 4.4 |
CC(1/2) | 0.998 | 0.982 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 273 | 0.8M lithium chloride, 0.1M Tris-HCl, pH 8.5, 0.1M sodium acetate, and 32% PEG 4000 (w/v). |