5VTS
Dehaloperoxidase B Y28F mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-06-19 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.736, 68.221, 67.569 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.275 - 1.571 |
R-factor | 0.1496 |
Rwork | 0.147 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ixf |
RMSD bond length | 0.006 |
RMSD bond angle | 0.742 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.275 | 1.610 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.053 | 0.491 |
Number of reflections | 38130 | |
<I/σ(I)> | 27.7 | 2.2 |
Completeness [%] | 98.9 | 99.1 |
Redundancy | 5.6 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | PEG4000, cacodylate buffer, ammonium phosphate |