4MQK
Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant HbF Toms River alphawtgammaV67M
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.07 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 106.040, 52.229, 106.381 |
Unit cell angles | 90.00, 114.27, 90.00 |
Refinement procedure
Resolution | 45.073 - 2.242 |
R-factor | 0.1769 |
Rwork | 0.175 |
R-free | 0.23220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.092 |
Data scaling software | SCALEPACK |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.950 |
High resolution limit [Å] | 1.920 | 5.210 | 1.920 |
Rmerge | 0.049 | 0.038 | 0.417 |
Number of reflections | 50708 | ||
<I/σ(I)> | 17.5 | ||
Completeness [%] | 93.5 | 82.5 | 95.9 |
Redundancy | 2.9 | 2.7 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 298 | 1.9M Sodium/Potassium Phosphate, Batch method, pH 7, EVAPORATION, temperature 298K |