3HHI
Crystal Structure of Cathepsin B from T. brucei in complex with CA074
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.881, 75.134, 75.900 |
Unit cell angles | 90.00, 105.02, 90.00 |
Refinement procedure
Resolution | 48.850 - 1.600 |
R-factor | 0.14817 |
Rwork | 0.147 |
R-free | 0.17809 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1the |
RMSD bond length | 0.020 |
RMSD bond angle | 1.726 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0071) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.850 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.093 | 0.687 |
Number of reflections | 74519 | |
<I/σ(I)> | 17.6 | 4.8 |
Completeness [%] | 96.9 | 95.5 |
Redundancy | 9.5 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 1M LiCl, 10% PEG 3350, 0.2M Tris-HCl pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |