5HBP
The crystal of rhodanese domain of YgaP treated with SNOC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.127 |
Spacegroup name | P 31 |
Unit cell lengths | 43.872, 43.872, 52.640 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.990 - 1.500 |
R-factor | 0.17244 |
Rwork | 0.172 |
R-free | 0.18474 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hbl |
RMSD bond length | 0.009 |
RMSD bond angle | 1.446 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.082 | 0.490 |
Number of reflections | 16889 | |
<I/σ(I)> | 18.7 | 1.9 |
Completeness [%] | 93.9 | 61.5 |
Redundancy | 4.9 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.2 M sodium acetate in 0.1 M Tris HCl pH 8.5, and 30% PEG 4000 |