3RDZ
Crystal Structure of rBTI-trypsin complex at 2.26 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-20 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.709, 50.236, 84.492 |
| Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.262 |
| R-factor | 0.1834 |
| Rwork | 0.182 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cmy 1vbw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.077 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.340 |
| High resolution limit [Å] | 2.260 | 2.260 |
| Rmerge | 0.055 | 0.253 |
| Number of reflections | 26279 | |
| <I/σ(I)> | 181.7 | 31 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 15% (w/v) PEG 3350, 200mM magnesium chloride, 100mM Tris-HCl (pH 9.0), VAPOR DIFFUSION, HANGING DROP, temperature 291K |
