6A7K
X-ray structure of NdhS from T. elongatus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-14 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 58.850, 58.850, 225.150 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.710 - 1.900 |
R-factor | 0.21957 |
Rwork | 0.219 |
R-free | 0.23783 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c4s |
RMSD bond length | 0.026 |
RMSD bond angle | 2.109 |
Data reduction software | XDS (VERSION Jan 26, 2018) |
Data scaling software | XDS (VERSION Jan 26, 2018) |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.710 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.058 | 0.399 |
Number of reflections | 19195 | 2520 |
<I/σ(I)> | 29 | 8.25 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.6 | 11.6 |
CC(1/2) | 1.000 | 0.985 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 100mM Sodium acetate trihydrate (pH 4.6), 100mM CdCl2, 38 % (v/v) polyethylene glycol (PEG) 400 |