5E6E
Crystal Structure of Carbonmonoxy Sickle Hemoglobin in R-State Conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-04-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 53.352, 53.352, 191.068 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.610 - 1.760 |
Rwork | 0.193 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ljw |
RMSD bond length | 0.011 |
RMSD bond angle | 1.900 |
Data reduction software | d*TREK |
Data scaling software | d*TREK (9.2SSI) |
Phasing software | PHENIX |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.350 | 53.350 | 1.820 |
High resolution limit [Å] | 1.760 | 3.790 | 1.760 |
Rmerge | 0.062 | 0.049 | 0.175 |
Total number of observations | 131289 | 14369 | 3651 |
Number of reflections | 27374 | ||
<I/σ(I)> | 14.7 | 28.8 | 3.9 |
Completeness [%] | 95.9 | 98.4 | 72.9 |
Redundancy | 4.76 | 4.56 | 1.81 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.6 | 293 | 3.2 M phosphate |