2A32
Trypsin in complex with benzene boronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-08-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.849, 53.704, 46.713 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.200 - 1.500 |
| Rwork | 0.158 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s5s |
| RMSD bond length | 0.009 |
| RMSD bond angle | 2.020 |
| Data reduction software | DENZO (HKL2000) |
| Data scaling software | SCALEPACK (HKL2000) |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.200 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.075 | 0.404 |
| Total number of observations | 2981 | |
| Number of reflections | 31465 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 99.4 | |
| Redundancy | 5.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | MgSO4, HEPES, CaCl2, the crystal while grown at pH 8.0 was soaked in a solution at pH 10.5 before freezing and data collection. pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
