4N6N
Crystal structure of oxidized legumain in complex with cystatin E/M
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9393 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.610, 85.750, 58.950 |
| Unit cell angles | 90.00, 94.63, 90.00 |
Refinement procedure
| Resolution | 44.500 - 1.870 |
| R-factor | 0.2136 |
| Rwork | 0.214 |
| R-free | 0.21937 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 4AW9 AND 4N6L |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.983 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.470 | 1.970 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Number of reflections | 35804 | |
| Completeness [%] | 97.7 | 90.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 25% PEG 4000, 100 mM MES pH 6.5, 200 mM potassium iodide, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
