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 |
