7DY4
High resolution crystal structure of hemoglobin M Boston.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-06-10 |
Detector | DECTRIS PILATUS3 X 200K-A |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.115, 86.583, 121.388 |
Unit cell angles | 90.00, 99.31, 90.00 |
Refinement procedure
Resolution | 13.160 - 1.300 |
R-factor | 0.1667 |
Rwork | 0.166 |
R-free | 0.18630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dn2 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.159 |
Data reduction software | CrysalisPro |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.160 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Number of reflections | 277356 | 854995 |
<I/σ(I)> | 17 | |
Completeness [%] | 95.5 | |
Redundancy | 3.1 | |
CC(1/2) | 0.998 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% w/v PEG 3350, 0.1M Bistris-HCl buffer, 0.2M magnesium chloride, pH 6.0 |