4F6G
Aquomet Structure of His100Trp Cerebratulus lacteus mini-hemoglobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | OTHER |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5412 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.680, 43.470, 59.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.545 - 1.640 |
R-factor | 0.1863 |
Rwork | 0.184 |
R-free | 0.20610 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 0.966 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.670 |
High resolution limit [Å] | 1.640 | 4.450 | 1.640 |
Rmerge | 0.049 | 0.048 | 0.112 |
Number of reflections | 13828 | ||
<I/σ(I)> | 49.9 | ||
Completeness [%] | 98.0 | 96.5 | 98.1 |
Redundancy | 3.3 | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 298 | Protein crystallized from 2.5 mM Ammonium Sulfate and 0.1M sodium Citrate, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |