7E3E
Crystal structure of Trypanosoma brucei cathepsin B R91C/T223C mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL32XU |
Synchrotron site | SPring-8 |
Beamline | BL32XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 125.100, 125.100, 55.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.764 - 2.300 |
Rwork | 0.221 |
R-free | 0.27280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hwy |
RMSD bond length | 0.008 |
RMSD bond angle | 1.685 |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.320 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 20010 | 496 |
<I/σ(I)> | 7.7 | |
Completeness [%] | 100.0 | |
Redundancy | 558 | |
CC(1/2) | 0.990 | 0.374 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | IN CELL | 293 | In cell crystallization |