5HCT
Endothiapepsin in complex with biacylhydrazone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.234, 72.822, 52.704 |
Unit cell angles | 90.00, 108.91, 90.00 |
Refinement procedure
Resolution | 42.790 - 1.360 |
R-factor | 0.1225 |
Rwork | 0.121 |
R-free | 0.15000 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.176 |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1492) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.790 | 1.440 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmerge | 0.491 | |
Number of reflections | 69237 | |
<I/σ(I)> | 11.27 | 2.41 |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 3.77 | 3.63 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding |