1NPG
MYOGLOBIN (HORSE HEART) WILD-TYPE COMPLEXED WITH NITROSOETHANE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-09-11 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 35.165, 28.706, 63.032 |
Unit cell angles | 90.00, 106.22, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.700 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.22700 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dwr |
RMSD bond length | 0.005 |
RMSD bond angle | 1.414 * |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.038 | 0.201 |
Total number of observations | 39336 * | |
Number of reflections | 13504 * | 1323 * |
<I/σ(I)> | 24.4 | 5.1 |
Completeness [%] | 99.4 | 98.2 |
Redundancy | 2.89 | 2.76 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | AMMONIUM SULFATE, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 100K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 30 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 100 (mM) | pH7.4 |
3 | 1 | drop | ammonium sulfate | 3.4-4.0 (M) | |
4 | 1 | drop | Tris-HCl | 100 (mM) | pH7.4 |
5 | 1 | reservoir | ammonium sulfate | 3.1-3.3 (M) | |
6 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.4 |