3P5Q
Ferric R-state human aquomethemoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-05-11 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 53.546, 53.546, 192.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.137 - 2.000 |
| R-factor | 0.2235 |
| Rwork | 0.221 |
| R-free | 0.26740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ird |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.031 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.140 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.075 | 0.433 |
| Number of reflections | 19835 | |
| <I/σ(I)> | 9.3 | 3.2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 5.75 | 6.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.8 | 295 | sodium phosphate, potassium phosphate, toluene, hemoglobin, pH 6.8, LIQUID DIFFUSION, temperature 295K |
