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 |
