4TYX
Structure of aquoferric sperm whale myoglobin L29H/F33Y/F43H/S92A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.467, 47.910, 76.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.657 - 1.640 |
R-factor | 0.1604 |
Rwork | 0.156 |
R-free | 0.19750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4fwx |
RMSD bond length | 0.017 |
RMSD bond angle | 1.784 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.700 |
High resolution limit [Å] | 1.640 | 3.530 | 1.640 |
Rmerge | 0.099 | 0.082 | 0.462 |
Total number of observations | 278363 | ||
Number of reflections | 18486 | ||
<I/σ(I)> | 13.2 | ||
Completeness [%] | 99.3 | 100 | 92.9 |
Redundancy | 15.1 | 19.3 | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 282 | 0.1M NaMES pH 6.57, 0.02M Tris sulfate pH 8, 0.2M NaOAc, 30% PEG 6K |