5ON8
Crystal structure of NikA in complex with reduced Fe-L2 (N-(2-hydroxy-3-methoxybenzyl)-N'-(2-thiomethylbenzyl)- N,N'-ethylenediamine diacetic acid)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2017-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97974 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.536, 94.092, 124.564 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.872 - 1.600 |
R-factor | 0.1954 |
Rwork | 0.194 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mvw |
RMSD bond length | 0.004 |
RMSD bond angle | 0.965 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 47.050 |
High resolution limit [Å] | 1.600 |
Number of reflections | 134286 |
<I/σ(I)> | 9.4 |
Completeness [%] | 99.9 |
Redundancy | 7.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 100 mM sodium acetate, pH 4.6 1.7 M ammonium sulfate |