5OBT
Fully activated A. thaliana legumain isoform gamma in complex with Ac-YVAD-CMK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-26 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.976251 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.740, 78.070, 77.719 |
Unit cell angles | 90.00, 92.98, 90.00 |
Refinement procedure
Resolution | 24.558 - 1.500 |
R-factor | 0.1531 |
Rwork | 0.152 |
R-free | 0.18190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5nij |
RMSD bond length | 0.006 |
RMSD bond angle | 1.134 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.560 | |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.050 | 0.240 |
Rmeas | 0.070 | 0.340 |
Rpim | 0.050 | 0.240 |
Number of reflections | 74201 | 3597 |
<I/σ(I)> | 8.3 | 2.7 |
Completeness [%] | 93.5 | 91.7 |
Redundancy | 2.2 | 2 |
CC(1/2) | 0.990 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 4% PEG 4000, 100 mM sodium acetate pH 4.6 |