3E5O
Carbonmonoxy Sperm Whale Myoglobin at 140 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] | 140 |
Detector technology | CCD |
Collection date | 2008-02-20 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.827 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.343, 30.613, 63.785 |
Unit cell angles | 90.00, 105.86, 90.00 |
Refinement procedure
Resolution | 17.010 - 1.210 |
R-factor | 0.158 |
Rwork | 0.156 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mbc |
RMSD bond length | 0.029 |
RMSD bond angle | 2.394 |
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 | 0.052 | 0.023 | 0.477 |
Number of reflections | 35428 | ||
<I/σ(I)> | 8.6 | ||
Completeness [%] | 89.4 | 98 | 35.8 |
Redundancy | 3.4 | 3.6 | 1.6 |
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 |