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). |
