4N4Z
Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 105 |
| Detector technology | PIXEL |
| Collection date | 2013-05-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.2398 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 124.420, 124.420, 53.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.100 - 3.300 |
| R-factor | 0.20162 |
| Rwork | 0.199 |
| R-free | 0.25069 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.321 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.100 | 3.160 |
| High resolution limit [Å] | 3.300 | 3.000 |
| Number of reflections | 6448 | |
| <I/σ(I)> | 1 | |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 12.3 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 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 310.15 K as described in Koopmann et al. 2012 Nature Methods |
