1P57
Extracellular domain of human hepsin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 291 |
Detector technology | IMAGE PLATE |
Collection date | 2002-10-09 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.800, 47.800, 63.100 |
Unit cell angles | 90.00, 104.80, 90.00 |
Refinement procedure
Resolution | 7.000 * - 1.750 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.20500 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ekb |
RMSD bond length | 0.018 * |
RMSD bond angle | 3.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.700 | 1.830 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.040 | 0.261 |
Total number of observations | 93729 * | |
Number of reflections | 31195 * | |
<I/σ(I)> | 12.4 | 1.7 |
Completeness [%] | 96.1 * | 53.3 * |
Redundancy | 3.82 | 2.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.6 * | 17 * | ammonium fluoride, PEG 3350, sodium cacodylate, tris, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K, pH 7.5, pH 7.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium fluoride | 0.2 (M) | |
2 | 1 | reservoir | PEG3350 | 20-25 (%) | |
3 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.2 |
4 | 1 | drop | protein | 10 (mg/ml) | |
5 | 1 | drop | inhibitor | 0.6 (mM) | |
6 | 1 | drop | Tris-HCl | 50 (mM) | pH7.6 |