6ZZ2
Cocktail experiment E: fragments 52, 58, and 63 at 90 mM concentration in complex with Endothiapepsin
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 | PIXEL |
Collection date | 2016-01-29 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.401, 73.178, 52.659 |
Unit cell angles | 90.00, 109.76, 90.00 |
Refinement procedure
Resolution | 41.033 - 1.149 |
R-factor | 0.127491596249 |
Rwork | 0.127 |
R-free | 0.14455 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dq4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.020 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.034 | 1.220 |
High resolution limit [Å] | 1.148 | 1.150 |
Number of reflections | 114661 | 18351 |
<I/σ(I)> | 13.9 | |
Completeness [%] | 99.5 | |
Redundancy | 3.7 | |
CC(1/2) | 0.999 | 0.768 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 0.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000; crystals obtained by streak-seeding |