6TH7
Structure of porcine pancreatic elastase in complex with tutuilamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-25 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.258, 99.114, 117.034 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.300 - 2.200 |
R-factor | 0.2025 |
Rwork | 0.200 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lvy |
RMSD bond length | 0.008 |
RMSD bond angle | 1.089 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.640 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.102 | |
Number of reflections | 36608 | 5124 |
<I/σ(I)> | 6.6 | |
Completeness [%] | 99.0 | |
Redundancy | 4.3 | |
CC(1/2) | 0.507 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 0sodium acetate, tri-sodium citrate, ammonium sulfate |