7ADG
Cocktail experiment G: fragments 216 and 338 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 | 45.358, 73.192, 52.740 |
Unit cell angles | 90.00, 109.73, 90.00 |
Refinement procedure
Resolution | 26.895 - 1.079 |
R-factor | 0.126786721834 |
Rwork | 0.126 |
R-free | 0.14357 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dq4 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.023 |
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] | 42.700 | 1.140 |
High resolution limit [Å] | 1.080 | 1.080 |
Number of reflections | 138339 | 22228 |
<I/σ(I)> | 10.6 | |
Completeness [%] | 99.6 | |
Redundancy | 3.7 | |
CC(1/2) | 0.998 | 0.775 |
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 |