7NB2
Crystal structure of human choline alpha in complex with an inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-24 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.593, 120.926, 130.456 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.196 - 2.400 |
| Rwork | 0.202 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ckq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.389 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.590 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.063 | 0.689 |
| Number of reflections | 35130 | 3644 |
| <I/σ(I)> | 19 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 9.9 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 18-20% Peg-mme 5000, 0.1 M Magnesium Formate, 0.1 M HEPES pH 7.0. |
