3BA2
Cyanide bound Chlorin substituted Myoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-02-12 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.123, 30.389, 64.499 |
| Unit cell angles | 90.00, 106.01, 90.00 |
Refinement procedure
| Resolution | 22.350 - 1.800 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.873 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.2D) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 22.350 | 22.350 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
| Rmerge | 0.034 | 0.022 | 0.130 |
| Total number of observations | 4329 | 3908 | |
| Number of reflections | 11926 | ||
| <I/σ(I)> | 21.9 | 42.7 | 7.3 |
| Completeness [%] | 99.0 | 99.1 | 98.9 |
| Redundancy | 3.44 | 3.42 | 3.33 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 295 | 3.1M ammonium sulfate, 100mM Tris HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
