5VL8
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 BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.18 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 57.580, 57.580, 183.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.900 - 1.700 |
| R-factor | 0.17763 |
| Rwork | 0.176 |
| R-free | 0.21542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1stp |
| RMSD bond length | 0.020 |
| RMSD bond angle | 3.430 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.900 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 17570 | 904 |
| <I/σ(I)> | 9.3 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.7 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 26 mg/mL protein, 2 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |
