7ZL8
NME1 in complex with succinyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-08 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.96600 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.844, 69.087, 225.127 |
Unit cell angles | 90.00, 89.72, 90.00 |
Refinement procedure
Resolution | 75.040 - 1.960 |
R-factor | 0.2197 |
Rwork | 0.218 |
R-free | 0.25130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | own structure NME1-ADP |
Data reduction software | XDS (Jan 26, 2018) |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.040 | 1.990 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.199 | 2.325 |
Number of reflections | 115647 | 5954 |
<I/σ(I)> | 3.1 | 0.5 |
Completeness [%] | 97.2 | 99.9 |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.990 | 0.246 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 277.15 | 4-10% PEG 1000, 0.1M citric acid pH 3.5 |