5ON0
Crystal structure of NikA in complex with Fe-L2 (N-(2-hydroxy-3methoxybenzyl)-N-N'-ethylenediaminediacetic 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 | 2016-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.937, 94.832, 124.993 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.416 - 1.900 |
R-factor | 0.1779 |
Rwork | 0.176 |
R-free | 0.20660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mvw |
RMSD bond length | 0.005 |
RMSD bond angle | 0.898 |
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] | 47.416 |
High resolution limit [Å] | 1.900 |
Number of reflections | 81960 |
<I/σ(I)> | 14.58 |
Completeness [%] | 99.9 |
Redundancy | 7.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | sodium acetate, 100 mM, pH 4.6 Ammonium sulfate 1.8 M |