7O50
Crystal structure of human legumain in complex with Gly-Ser-Asn peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-05-07 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.87290 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.360, 75.110, 172.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.616 - 1.900 |
R-factor | 0.193606631772 |
Rwork | 0.192 |
R-free | 0.21947 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4awa |
RMSD bond length | 0.010 |
RMSD bond angle | 1.237 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.440 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.110 | 0.650 |
Number of reflections | 45170 | 2779 |
<I/σ(I)> | 9.6 | |
Completeness [%] | 99.5 | 97.5 |
Redundancy | 4.2 | |
CC(1/2) | 0.990 | 0.740 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 22 % PEG 3350 and 0.1 M sodium acetate pH 4.5 |