1S6F
PORCINE TRYPSIN COVALENT COMPLEX WITH BORATE AND GUANIDINE-3 INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-03-14 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.672, 55.747, 46.658 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 100.000 - 1.800 |
R-factor | 0.155 |
Rwork | 0.155 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aks |
RMSD bond length | 0.009 |
RMSD bond angle | 1.880 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.119 * | 0.453 * |
Number of reflections | 18397 | |
<I/σ(I)> | 20.2977 | 4.134 |
Completeness [%] | 99.8 * | 99.1 |
Redundancy | 9.7 * | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 4 * | 1.8M MgCl2, 50mM HEPES, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 30 (mg/ml) | |
2 | 1 | drop | G3P | 100 (mM) | |
3 | 1 | drop | pH8.0 | ||
4 | 1 | reservoir | 1.6-1.8 (M) | ||
5 | 1 | reservoir | HEPES | 50 (mM) | or Tris |
6 | 1 | reservoir | 5 (mM) |