1MBQ
Anionic Trypsin from Pacific Chum Salmon
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1999-07-30 |
Detector | MACSCIENCE DIP100 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.930, 48.010, 82.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.169 |
Rwork | 0.166 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2tbs |
RMSD bond length | 0.004 |
RMSD bond angle | 1.290 |
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] | 25.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.067 | 0.183 |
Total number of observations | 108688 * | |
Number of reflections | 17253 | |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.31 | 4.25 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8.15 | 298 | magnesium sulfate, Tris, calcium chloride, Tris-Cl, benzamidine, pH 8.15, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | CST | 0.62 (mM) | |
2 | 1 | drop | 30 (mM) | ||
3 | 1 | drop | 0.6 (mM) | ||
4 | 1 | drop | benzamidine | 6.0 (mM) | |
5 | 1 | drop | Tris-HCl | 50 (mM) | pH8.15 |
6 | 1 | reservoir | 1.4 (M) | ||
7 | 1 | reservoir | Tris-HCl | 0.1 (M) | pH8.5 |