1U18
1.96 A Crystal structure of H60C mutant of nitrophorin complexed with histamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-02-24 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.820, 73.850, 65.380 |
Unit cell angles | 90.00, 98.57, 90.00 |
Refinement procedure
Resolution | 27.000 - 1.960 |
R-factor | 0.18703 |
Rwork | 0.185 |
R-free | 0.22562 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2np1 |
RMSD bond length | 0.032 |
RMSD bond angle | 1.997 |
Data reduction software | CrystalClear ((MSC/RIGAKU)) |
Data scaling software | d*TREK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 2.060 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.038 | |
Number of reflections | 22695 | |
<I/σ(I)> | 11.2 | 3.4 |
Completeness [%] | 92.0 | 70.4 |
Redundancy | 2.1 | 1.08 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 0.1 M potassium cacodylate, 2.9 M di-ammonium hydrogen phosphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |