3MYM
Mutation of Methionine-86 in Dehaloperoxidase-hemoglobin: Effects of the Asp-His-Fe Triad in a 3/3 Globin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-11-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.560, 67.423, 67.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.860 - 1.720 |
R-factor | 0.18619 |
Rwork | 0.183 |
R-free | 0.24080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qfk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.168 |
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] | 47.860 | 1.765 |
High resolution limit [Å] | 1.720 | 1.720 |
Rmerge | 0.103 | 0.773 |
Number of reflections | 27739 | |
<I/σ(I)> | 18.4 | 2.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.3 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 0.2 M Ammonuim Sulfate, 32% w/v PEG 4000, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |