7LGB
ChsB1 in complex with NAD+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-1 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-1 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2020-08-18 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 84.662, 84.233, 47.341 |
Unit cell angles | 90.00, 116.19, 90.00 |
Refinement procedure
Resolution | 42.480 - 2.210 |
R-factor | 0.1707 |
Rwork | 0.167 |
R-free | 0.20740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kzp |
RMSD bond length | 0.014 |
RMSD bond angle | 0.935 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.480 | 2.250 |
High resolution limit [Å] | 2.210 | 2.210 |
Rmerge | 0.150 | 0.780 |
Number of reflections | 103397 | 103397 |
<I/σ(I)> | 9.4 | 2.3 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | |
CC(1/2) | 0.995 | 0.739 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 297.15 | 0.2M Sodium citrate, 0.1M HEPES pH7.5, 30% v/v 2-methyl-2,4-pentanediol |