3VAU
Myoglobin nitrite structure: nitriheme modified
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-03-23 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.140, 28.423, 62.867 |
Unit cell angles | 90.00, 105.50, 90.00 |
Refinement procedure
Resolution | 26.340 - 1.700 |
R-factor | 0.17566 |
Rwork | 0.173 |
R-free | 0.23657 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dwr |
RMSD bond length | 0.023 |
RMSD bond angle | 2.046 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.340 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.053 | 0.062 |
Number of reflections | 13475 | |
<I/σ(I)> | 11.8 | 3.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.87 | 3.76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | ammonium sulfate, 100mM TrisHCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |