3RXU
Crystal structure of Trypsin complexed with benzamide (F05 and A06, cocktail experiment)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.383, 58.091, 66.674 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.850 - 1.680 |
R-factor | 0.15831 |
Rwork | 0.157 |
R-free | 0.18500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s0r |
RMSD bond length | 0.006 |
RMSD bond angle | 1.076 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.680 |
Rmerge | 0.045 |
Number of reflections | 24651 |
Completeness [%] | 99.5 |
Redundancy | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |