3ITI
Structure of bovine trypsin with the MAD triangle B3C
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-23 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.658, 56.883, 66.808 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.840 - 1.550 |
| R-factor | 0.168 |
| R-free | 0.21300 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.024 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | SHELXD |
| Refinement software | SHELX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.840 | 1.650 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.066 | 0.288 |
| Number of reflections | 30398 | |
| <I/σ(I)> | 18.9 | 3.87 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.69 | 3.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 293 | precipitant: 30% PEG 3000, 0.1 M CHES, protein 60 mg/ml, drop size 100 nL protein solution plus 100 nl precipitant, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
