1G9I
CRYSTAL STRUCTURE OF BETA-TRYSIN COMPLEX IN CYCLOHEXANE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1998-01-01 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.380, 63.350, 69.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.200 |
R-factor | 0.193 |
Rwork | 0.185 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1smf |
RMSD bond length | 0.007 |
RMSD bond angle | 26.200 * |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.093 | 0.217 |
Number of reflections | 12041 | |
<I/σ(I)> | 7 | 2 |
Completeness [%] | 83.2 | 62.3 |
Redundancy | 3.7 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 24 * | Li, Y., (1994) J.Biochem.(Tokyo), 116, 18. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | ammonium sulfate | 2 (M) | |
2 | 1 | drop | phosphate | 0.2 (M) | |
3 | 1 | reservoir | ammonium sulfate | 2 (M) | |
4 | 1 | reservoir | phosphate | 0.2 (M) |