1G49
A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Collection date | 2000-03-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.668, 77.112, 106.145 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.700 - 1.900 |
| R-factor | 0.196 |
| R-free | 0.25310 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 ((FFT)) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.100 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | 0.225 |
| Number of reflections | 22034 | |
| <I/σ(I)> | 7.4 | |
| Completeness [%] | 72.8 | 30.7 |
| Redundancy | 1.6 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 8.5 | 298 | used macroseeding, Chen, L., (1999) J. Mol. Biol., 293, 545. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 20-24 (%(w/v)) | |
| 3 | 1 | reservoir | 2-propanol | 2.5 (%(v/v)) | |
| 4 | 1 | reservoir | 10 (mM) | ||
| 5 | 1 | reservoir | Tris-HCl | 0.1 (M) |
