4AWA
Crystal structure of active legumain in complex with YVAD-CMK at pH 5.0
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 42 |
| Unit cell lengths | 64.300, 64.300, 79.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.300 - 2.500 |
| R-factor | 0.23833 |
| Rwork | 0.237 |
| R-free | 0.25554 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4aw9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.947 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.300 | 7.910 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.230 |
| Number of reflections | 10650 | |
| <I/σ(I)> | 16.5 | 4 |
| Completeness [%] | 94.9 | 95.2 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 0.1 M CITRIC ACID PH 5.0, 0.2 M LITHIUM SULFATE MONOHYDRATE, 25% PEG 3350 |
