5UFJ
Crystal Structure of Carbonmonoxy Hemoglobin S (Liganded Sickle Cell Hemoglobin) Complexed with GBT Compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-15 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.411, 58.881, 174.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.764 - 2.050 |
R-factor | 0.2132 |
Rwork | 0.211 |
R-free | 0.25390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e83 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.053 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.050 |
Number of reflections | 37327 |
<I/σ(I)> | 14.27 |
Completeness [%] | 100.0 |
Redundancy | 12.8 |
CC(1/2) | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | 0.1 M Hepes pH 7.4, 40 mM NaCl, 29 % PEG3350 |