5ON4
Crystal structure of NikA in complex with Fe-L1 (N-(2-hydroxybenzyl)-N'-(2-thiomethylbenzyl)-N,N'-ethylenediamine diacetic acid)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2012-03-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9840 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.690, 94.121, 129.545 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.441 - 2.300 |
R-factor | 0.2235 |
Rwork | 0.221 |
R-free | 0.26660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mvw |
RMSD bond length | 0.004 |
RMSD bond angle | 0.851 |
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] | 45.450 |
High resolution limit [Å] | 2.300 |
Number of reflections | 46346 |
<I/σ(I)> | 14.33 |
Completeness [%] | 96.9 |
Redundancy | 4.43 |
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 1.7 M |