7JWX
Crystal Structure of Trypsin Bound O-methyl Benzamidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU R-AXIS IV |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2020-07-27 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 189.270, 70.320, 137.740 |
Unit cell angles | 90.00, 133.00, 90.00 |
Refinement procedure
Resolution | 38.580 - 2.380 |
R-factor | 0.2141 |
Rwork | 0.212 |
R-free | 0.25540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f2s |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.460 |
High resolution limit [Å] | 2.380 | 2.380 |
Rmerge | 0.066 | 0.269 |
Rmeas | 0.080 | 0.330 |
Number of reflections | 52631 | 3703 |
<I/σ(I)> | 13.4 | 4 |
Completeness [%] | 98.5 | 93.6 |
Redundancy | 3.07 | 2.85 |
CC(1/2) | 0.997 | 0.928 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1.9M (NH4)2 SO4, 50mM MES pH 6.0, 2mM O-methyl Benzamidine |