4AWB
Crystal structure of active legumain in complex with AAN-CMK
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 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 41 |
| Unit cell lengths | 63.900, 63.900, 144.390 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.910 - 2.700 |
| R-factor | 0.23056 |
| Rwork | 0.229 |
| R-free | 0.25506 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aw9 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.962 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.190 | 2.700 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.130 | 0.390 |
| Number of reflections | 17704 | |
| <I/σ(I)> | 8.8 | 2.4 |
| Completeness [%] | 95.1 | 80.2 |
| Redundancy | 5.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M HEPES PH 7.5, 0.2 M LITHIUMSULFATE MONOHYDRATE, 25 % PEG 3350 |
