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 |