6KRC
An X-ray structure of ferric F43Y/F46S sperm whale myoglobin
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 | 2017-11-18 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.776, 48.378, 78.674 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.720 - 1.390 |
R-factor | 0.1361 |
Rwork | 0.134 |
R-free | 0.17270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5xkv |
RMSD bond length | 0.009 |
RMSD bond angle | 2.804 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.420 |
High resolution limit [Å] | 1.390 | 1.390 |
Rmerge | 0.107 | 0.762 |
Rpim | 0.049 | 0.482 |
Number of reflections | 31430 | 2147 |
<I/σ(I)> | 14.7 | 1.5 |
Completeness [%] | 99.7 | 96.4 |
Redundancy | 4.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG8000, 0.1 M NaAc, 0.1 M MES pH 6.5 |