1BJU
BETA-TRYPSIN COMPLEXED WITH ACPU
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 293 |
| Detector technology | AREA DETECTOR |
| Collection date | 1993-08 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.840, 58.490, 67.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.800 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 3ptb |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.640 |
| Data reduction software | SDMS (SOFTWARE) |
| Data scaling software | SDMS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 7.000 | 1.720 |
| High resolution limit [Å] | 1.800 | 1.600 |
| Rmerge | 0.110 | 0.350 |
| Total number of observations | 201510 * | |
| Number of reflections | 28730 | |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 97.0 | 88 |
| Redundancy | 7.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 | 0.9 M AMMONIUM SULFATE, 0.005 M MES, 0.001 M CACL2, 0.0025 M BENZAMIDINE, PH 6.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | beta-trypsin | 10-15 (mg/ml) | |
| 2 | 1 | drop | 1.0 (mM) | ||
| 3 | 1 | drop | benzamidine | 2.5 (mM) | |
| 4 | 1 | drop | ammonium sulfate | 0.9 (M) | |
| 5 | 1 | drop | MES | 5.0 (mM) | |
| 6 | 1 | reservoir | MES | 5.0 (mM) | |
| 7 | 1 | reservoir | 1.0 (mM) | ||
| 8 | 1 | reservoir | benzamidine | 2.5 (mM) | |
| 9 | 1 | reservoir | ammonium sulfate | 1.8 (M) |
