9FIL
Crystal Structure of reduced NuoEF variant E222K(NuoF) from Aquifex aeolicus bound to NAD+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9724 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.136, 115.539, 189.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.403 - 2.540 |
Rwork | 0.201 |
R-free | 0.24780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.461 |
Data reduction software | XDS (VERSION Jan 31, 2020 BUILT=20200131) |
Data scaling software | Aimless (0.7.15) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.403 | 2.630 |
High resolution limit [Å] | 2.540 | 2.540 |
Rpim | 0.139 | 0.462 |
Number of reflections | 47056 | 4549 |
<I/σ(I)> | 5.2 | |
Completeness [%] | 99.3 | |
Redundancy | 3.9 | |
CC(1/2) | 0.976 | 0.757 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 281 | 0.1 M Tris pH 7.1, 0.85 M Na3-citrate, 0.1 M NaCl |