6JP1
An X-ray structure of met sperm whale F43Y/T67R myoglobin with Tyr-heme double cross-links
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-22 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.406, 33.604, 72.886 |
Unit cell angles | 90.00, 117.87, 90.00 |
Refinement procedure
Resolution | 36.440 - 1.990 |
R-factor | 0.17349 |
Rwork | 0.171 |
R-free | 0.22049 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vxa |
RMSD bond length | 0.011 |
RMSD bond angle | 2.991 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.040 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.121 | 0.892 |
Rpim | 0.103 | 0.675 |
Number of reflections | 21592 | 2736 |
<I/σ(I)> | 19.71 | 2.59 |
Completeness [%] | 99.3 | 94.3 |
Redundancy | 7.3 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M Sodium acetate trihydrate,0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8000 |