1KUG
Crystal Structure of a Taiwan Habu Venom Metalloproteinase complexed with its endogenous inhibitor pENW
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL17B2 |
Synchrotron site | NSRRC |
Beamline | BL17B2 |
Temperature [K] | 123 |
Detector technology | IMAGE PLATE |
Collection date | 2000-12-21 |
Detector | RIGAKU |
Wavelength(s) | 1.08 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 61.151, 61.151, 131.193 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.370 |
Rwork | 0.172 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.660 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.420 |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.060 | 0.333 |
Total number of observations | 121022 * | |
Number of reflections | 49996 | |
<I/σ(I)> | 15.9 | 2.4 |
Completeness [%] | 93.9 | 88.1 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 * | 4 * | PEG400, sodium acetate, cadmium chloride, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 0.1 (M) | ||
2 | 1 | reservoir | sodium acetate | 0.1 (M) | |
3 | 1 | reservoir | PEG400 | 30 (%(v/v)) | pH4.6 |
4 | 1 | drop | protein | 10.5 (mg/ml) | |
5 | 1 | drop | ammonium acetate | 0.2 (M) | pH6.0 |
6 | 1 | drop | synthetic inhibitor | 0.0005ml |