5LU8
CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.28348 |
| Spacegroup name | P 42 |
| Unit cell lengths | 64.320, 64.320, 78.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.900 - 1.950 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4awa |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.111 |
| Data reduction software | iMOSFLM (7.0.9) |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.900 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.072 | 0.497 |
| Number of reflections | 23440 | |
| <I/σ(I)> | 10.5 | 3 |
| Completeness [%] | 99.8 | |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES PH 7.5, 0.2 M LITHIUM SULFATE MONOHYDRATE, 25 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |
