6YJM
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-28 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.320, 80.240, 51.050 |
| Unit cell angles | 90.00, 90.20, 90.00 |
Refinement procedure
| Resolution | 18.470 - 2.250 |
| R-factor | 0.21466 |
| Rwork | 0.212 |
| R-free | 0.25563 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ljt |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.500 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 15333 | 877 |
| <I/σ(I)> | 19.05 | 5.4 |
| Completeness [%] | 86.2 | 51.02 |
| Redundancy | 5 | |
| CC(1/2) | 0.948 | 0.671 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1M HEPES pH 7.0, 300% v/v Jeffamine ED-2001 pH 7.0 |
