3S1J
Crystal structure of acetate-bound hell's gate globin I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-10-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 70.034, 126.225, 148.395 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.480 - 1.800 |
R-factor | 0.2101 |
Rwork | 0.209 |
R-free | 0.23610 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.989 |
Data reduction software | CrystalClear |
Data scaling software | CrystalClear |
Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.930 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.042 | 0.263 |
Number of reflections | 59437 | |
<I/σ(I)> | 12.5 | 2.8 |
Completeness [%] | 97.2 | 88.2 |
Redundancy | 2.93 | 2.01 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 2.0M AMMONIUM SULPHATE, 0.1M SODIUM ACETATE, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |