5VKX
Coordination Chemistry within a Protein Host: Regulation of the Secondary Coordination Sphere
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-08 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 57.875, 57.875, 184.424 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.400 - 1.370 |
R-factor | 0.16481 |
Rwork | 0.164 |
R-free | 0.18737 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.031 |
RMSD bond angle | 2.866 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.400 | 1.400 |
High resolution limit [Å] | 1.370 | 1.370 |
Number of reflections | 33187 | 1457 |
<I/σ(I)> | 22.2 | |
Completeness [%] | 99.5 | 90.8 |
Redundancy | 11.1 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 26 mg/mL protein, 2.0 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |