6N03
CO-bound Sperm Whale Myoglobin, room temperature structure, last 2 degrees of 5 degree total oscillation and 160 kGy dose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE G3 |
Synchrotron site | CHESS |
Beamline | G3 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-03-04 |
Detector | DECTRIS EIGER X 1M |
Wavelength(s) | 1.216 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.030, 45.900, 82.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.160 - 2.100 |
R-factor | 0.2027 |
Rwork | 0.199 |
R-free | 0.28470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vxa |
RMSD bond length | 0.008 |
RMSD bond angle | 1.017 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.160 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.258 | 5.117 |
Rpim | 0.062 | 1.234 |
Number of reflections | 8687 | 853 |
<I/σ(I)> | 9.5 | 1.04 |
Completeness [%] | 99.8 | 99.65 |
Redundancy | 17.1 | 16.6 |
CC(1/2) | 0.997 | 0.253 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 295 | CO-SWMb crystals were homogenized in 10 mM Tris-HCl pH 9.0 and 3.2 M ammonium sulfate and washed two to three times with the same CO-saturated solution. |