3O7N
The V59W mutation blocks the distal pocket of the hemoglobin - dehaloperoxidase from Amphitrite ornata
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 | 2009-06-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91339 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.925, 67.305, 69.253 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.080 - 1.720 |
R-factor | 0.17662 |
Rwork | 0.173 |
R-free | 0.23688 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qfk |
RMSD bond length | 0.023 |
RMSD bond angle | 1.984 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.080 | 1.765 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.167 | 0.616 |
Number of reflections | 26238 | |
<I/σ(I)> | 9.5 | 2.4 |
Completeness [%] | 94.0 | 97.99 |
Redundancy | 4.3 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 0.2 M Ammonium sulfate, 32% w/v PEG 4000, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |