3E4N
Carbonmonoxy Sperm Whale Myoglobin at 40 K: Laser off
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW14A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW14A |
| Temperature [K] | 40 |
| Detector technology | CCD |
| Collection date | 2007-05-24 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.827 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.312, 30.618, 63.714 |
| Unit cell angles | 90.00, 105.74, 90.00 |
Refinement procedure
| Resolution | 17.150 - 1.210 |
| R-factor | 0.144 |
| Rwork | 0.142 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mbc |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.862 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.250 |
| High resolution limit [Å] | 1.210 | 2.610 | 1.210 |
| Rmerge | 0.033 | 0.022 | 0.204 |
| Number of reflections | 37292 | ||
| <I/σ(I)> | 15.4 | ||
| Completeness [%] | 94.7 | 92.7 | 73 |
| Redundancy | 3.7 | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 293 | 2.4M Ammonium Sulfate, 10mM Tris-HCl, 100mM Sodium phosphate, pH 6.0, batch, temperature 293K |
