4HWY
Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SLAC LCLS BEAMLINE CXI |
Synchrotron site | SLAC LCLS |
Beamline | CXI |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2011-02-01 |
Detector | Cornell-SLAC Pixel Array Detector |
Wavelength(s) | 1.32 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 125.400, 125.400, 54.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 88.670 - 2.100 |
R-factor | 0.18335 |
Rwork | 0.182 |
R-free | 0.21308 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mor |
RMSD bond length | 0.013 |
RMSD bond angle | 1.540 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.175 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 25969 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Crystallization in vivo within living SF9 insect cells | 7.4 | 310.15 | Spontaneous formation of needle-shaped microcrystals in Sf9 cells infected with recombinant baculovirus containing the gene encoding the pre-pro form of Trypanosoma brucei cathepsin B, pH 7.4, Crystallization in vivo within living SF9 insect cells, temperature 310.15K |