7QN4
Endothiapepsin in complex with compound TL00150 at room-temperature (temperature ramping up structure 14)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 306 |
Detector technology | PIXEL |
Collection date | 2021-09-08 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.020, 74.119, 53.212 |
Unit cell angles | 90.00, 109.42, 90.00 |
Refinement procedure
Resolution | 35.250 - 1.790 |
R-factor | 0.1662 |
Rwork | 0.164 |
R-free | 0.19680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rsv |
RMSD bond length | 0.009 |
RMSD bond angle | 0.995 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.250 | 1.850 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmeas | 0.120 | 3.880 |
Number of reflections | 30983 | 2690 |
<I/σ(I)> | 9.8 | 0.28 |
Completeness [%] | 97.4 | 84.94 |
Redundancy | 7 | 6.61 |
CC(1/2) | 0.990 | 0.120 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 0.1 M ammonium acetate, 0.1 M sodium acetate pH 4.6, and 26 - 30% (v/v) PEG 4000 |