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 |
