3E5I
Carbonmonoxy Sperm Whale Myoglobin at 120 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] | 120 |
| Detector technology | CCD |
| Collection date | 2007-05-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.827 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.536, 30.847, 63.897 |
| Unit cell angles | 90.00, 105.65, 90.00 |
Refinement procedure
| Resolution | 20.060 - 1.220 |
| R-factor | 0.156 |
| Rwork | 0.153 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mbc |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.179 |
| 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 | 0.039 | 0.019 | 0.494 |
| Number of reflections | 33220 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 83.5 | 95.5 | 40.4 |
| Redundancy | 3.2 | 3.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | batch | 6 | 293 | 2.4M Ammonium sulfate, 10mM TrisHCl, 100mM Sodium phosphate, pH 6.0, batch, temperature 293K |
