1G3B
BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO SCHIFF BASE MAGNESIUM(II) CHELATE
Experimental procedure
Experimental method | MONOCHROMATIC |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 106 |
Detector technology | IMAGE PLATE |
Collection date | 1999-08-19 |
Detector | MACSCIENCE DIP100 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.770, 63.250, 69.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.350 - 1.800 |
R-factor | 0.173 |
Rwork | 0.173 |
R-free | 0.19300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1bty |
RMSD bond length | 0.004 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 * | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.086 | 0.353 |
Number of reflections | 26364 | |
<I/σ(I)> | 7.6 | 3.4 |
Completeness [%] | 98.9 | 97.8 * |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.15 * | 298 | magnesium sulfate, Tris-Cl, calcium chloride, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | trypsin | 1.25 (mM) | |
2 | 1 | drop | magnesium sulfate | 0.3 (M) | |
3 | 1 | drop | 6 (mM) | ||
4 | 1 | drop | inhibitor | 5.0 (mM) | |
5 | 1 | drop | Tris-HCl | 0.1 (M) | |
6 | 1 | reservoir | magnesium sulfate | 1.5 (M) | |
7 | 1 | reservoir | Tris-HCl | 0.1 (M) |