6IYI
X-ray sequence and high resolution crystal structure of Starry sturgeon methemoglobin
Replaces: 5JNZExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BSRF BEAMLINE 1W2B |
Synchrotron site | BSRF |
Beamline | 1W2B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-24 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9792 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 53.980, 61.410, 102.366 |
Unit cell angles | 90.00, 97.75, 90.00 |
Refinement procedure
Resolution | 52.530 - 2.200 |
R-factor | 0.14046 |
Rwork | 0.138 |
R-free | 0.19495 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bom |
RMSD bond length | 0.018 |
RMSD bond angle | 1.863 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155; 7.0.018) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.530 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.063 | 0.096 |
Number of reflections | 16020 | |
<I/σ(I)> | 15.8 | 11.8 |
Completeness [%] | 99.1 | 98.9 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 0.1M Hepes sodium pH 7.5, 20%(w/v) PEG4000 and 10%(v/v) 2-Propanol |