3HEO
Ferric Horse Heart Myoglobin; H64V/V67R mutant, Nitrite Modified
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-03-05 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 29.841, 118.053, 57.363 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.710 - 2.000 |
R-factor | 0.20457 |
Rwork | 0.202 |
R-free | 0.25791 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 3HEN |
RMSD bond length | 0.027 |
RMSD bond angle | 2.129 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.830 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.095 | 0.571 |
Number of reflections | 13595 | |
<I/σ(I)> | 9.9 | 3.3 |
Completeness [%] | 93.9 | 91 |
Redundancy | 7.23 | 7.17 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 295 | ammonium phosphate, EDTA, crystal soaking with sodium nitrite, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |