7A0C
X-ray structure of NikA from Escherichia coli in complex with Fe-6-Me2-BPMCN
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 | 2017-07-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9799 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.809, 93.796, 124.222 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.875 - 1.900 |
R-factor | 0.1835 |
Rwork | 0.181 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zlq |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.875 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 80337 | 11314 |
<I/σ(I)> | 13.06 | |
Completeness [%] | 99.8 | |
Redundancy | 5.3 | |
CC(1/2) | 0.998 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 1.7 M Ammonium sulfate, 100 mM sodium acetate pH 4.6 |