1AVG
THROMBIN INHIBITOR FROM TRIATOMA PALLIDIPENNIS
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 280 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.840, 67.230, 183.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.600 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | BOVINE THROMBIN |
| RMSD bond length | 0.008 |
| RMSD bond angle | 25.920 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.842) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.920 | 2.670 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.099 | 0.121 |
| Total number of observations | 79890 * | |
| Number of reflections | 16392 | |
| <I/σ(I)> | 14.22 | 2.65 |
| Completeness [%] | 93.2 | 81.6 |
| Redundancy | 4.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 4.6 | 20 * | 50 MM NA ACETATE, PH 4.6, 100 MM (NH4)2SO4, 16 % PEG 4,000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.5 (mg/ml) | |
| 2 | 1 | drop | Na acetate | 50 (mM) | |
| 3 | 1 | drop | ammonium sulfate | 100 (mM) | |
| 4 | 1 | drop | 0.01 (%) | ||
| 5 | 1 | drop | PEG4000 | 8 (%) | |
| 6 | 1 | reservoir | PEG4000 | 16 (%) |
