1HIA
KALLIKREIN COMPLEXED WITH HIRUSTASIN
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM1A |
| Synchrotron site | ESRF |
| Beamline | BM1A |
| Temperature [K] | 297 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 116.900, 86.000, 69.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.205 |
| Rwork | 0.205 |
| R-free | 0.31100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pka |
| RMSD bond length | 0.011 |
| RMSD bond angle | 26.220 * |
| Data reduction software | MARSCALE |
| Data scaling software | MARSCALE |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.450 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.126 * | 0.474 * |
| Total number of observations | 96170 * | |
| Number of reflections | 27511 | |
| <I/σ(I)> | 11.2 | 2.3 |
| Completeness [%] | 97.9 | 98.6 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | HANGING DROP, RESERVOIR: 23% PEG2000, 180MM AM2SO4, 3.5% DIOXANE 100 MM SODIUM ACETATE, PH 4.6. DROP: 1:1 RATIO OF HIRUSTASIN:KALLIKREIN IN 20MM TRIS-HCL, PH 8.0, pH 5.0, vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | kallikrein | 0.5 (mM) | |
| 2 | 1 | drop | hirustasin | 0.85 (mM) | |
| 3 | 1 | drop | Tris-HCl | 20 (mM) | |
| 4 | 1 | reservoir | PEG2000 | 23 (%) | |
| 5 | 1 | reservoir | ammonium sulfate | 0.18 (M) | |
| 6 | 1 | reservoir | dioxane | 3.5 (%) | |
| 7 | 1 | reservoir | sodium acetate | 0.1 (M) |
