1AN1
LEECH-DERIVED TRYPTASE INHIBITOR/TRYPSIN COMPLEX
Experimental procedure
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 294 |
Detector technology | IMAGE PLATE |
Collection date | 1997-01-29 |
Detector | MAR scanner 300 mm plate |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.700, 63.700, 130.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.030 |
R-factor | 0.17 |
Rwork | 0.170 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PORCINE PANCREATIC BETA-TRYPSIN (PDB ENTRY 1EPT) |
RMSD bond length | 0.010 |
RMSD bond angle | 24.757 * |
Data reduction software | MARSCALE |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.140 | 2.100 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.115 | 0.485 |
Total number of observations | 150264 * | |
Number of reflections | 17213 | |
<I/σ(I)> | 27.82 | 4.7 |
Completeness [%] | 94.3 | 79.4 |
Redundancy | 8.73 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.5 | 30% V/V 2-PROPANOL, 0.2M AMMONIUM ACETATE, 0.1M TRIS-HCL, PH 8.5 ROOM TEMPERATURE 27 MONTHS FOR GROWTH. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | 2-propanol | 30 (%(v/v)) | |
2 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
3 | 1 | reservoir | Tris-HCl | 0.1 (M) |