5OJE
Endothiapepsin with Ligand VSK-B24
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER IMUS MICROFOCUS |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2017-03-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.542 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.404, 73.009, 53.069 |
Unit cell angles | 90.00, 110.06, 90.00 |
Refinement procedure
Resolution | 28.009 - 1.579 |
R-factor | 0.1446 |
Rwork | 0.143 |
R-free | 0.17440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.943 |
Data reduction software | XDSapp 2.0 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.670 |
High resolution limit [Å] | 1.579 | 1.580 |
Number of reflections | 44501 | 7161 |
<I/σ(I)> | 21.9 | 7.2 |
Completeness [%] | 99.5 | 99.3 |
Redundancy | 4 | 3.7 |
CC(1/2) | 0.999 | 0.965 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 294 | 50 % PEG 4000, 100 mM Ammonium acetate, 100 mM Sodium acetate |