2A31
Trypsin in complex with borate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-01-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.304, 53.446, 46.466 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.900 - 1.250 |
| Rwork | 0.140 |
| R-free | 0.16200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s5s |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.910 |
| 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] | 31.900 | 1.290 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.088 | 0.295 |
| Total number of observations | 3722 | |
| Number of reflections | 47257 | |
| <I/σ(I)> | 4.7 | |
| Completeness [%] | 88.6 | 96 |
| Redundancy | 12.3 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | MgSO4, HEPES, CaCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 300K |
