3LJJ
Bovine trypsin in complex with UB-THR 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-08-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.600, 63.700, 69.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.550 |
| Rwork | 0.253 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k1p |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.900 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.364 | |
| Number of reflections | 39762 | |
| <I/σ(I)> | 0.344 | 3.1 |
| Completeness [%] | 99.2 | 88 |
| Redundancy | 7.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 1.9M Ammonium sulfate, 50mM MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
