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 |