5ON9
Crystal structure of NikA in complex with reduced Fe-L1 (N-(2-hydroxybenzyl)-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 | 2017-03-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.900, 94.100, 124.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.021 - 1.700 |
R-factor | 0.1784 |
Rwork | 0.177 |
R-free | 0.21070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mvw |
RMSD bond length | 0.005 |
RMSD bond angle | 0.957 |
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] | 1.700 |
Number of reflections | 112782 |
<I/σ(I)> | 20.69 |
Completeness [%] | 100.0 |
Redundancy | 7.36 |
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 ammonium sulfate |