6XT5
Jack bean asparaginyl endopeptidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.984 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 106.989, 88.882, 109.848 |
Unit cell angles | 90.00, 111.72, 90.00 |
Refinement procedure
Resolution | 45.611 - 2.690 |
Rwork | 0.196 |
R-free | 0.26830 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nij |
RMSD bond length | 0.004 |
RMSD bond angle | 1.355 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.330 | 2.820 |
High resolution limit [Å] | 2.690 | 2.690 |
Number of reflections | 26353 | 3311 |
<I/σ(I)> | 9.6 | |
Completeness [%] | 98.8 | |
Redundancy | 3.4 | |
CC(1/2) | 0.997 | 0.662 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | HEPES, PEG 20,000, EDTA disodium salt dihydrate |