1JAO
COMPLEX OF 3-MERCAPTO-2-BENZYLPROPANOYL-ALA-GLY-NH2 WITH THE CATALYTIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM)
Experimental procedure
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.240, 69.200, 72.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.400 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.900 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | |
| High resolution limit [Å] | 2.400 | 2.400 * |
| Rmerge | 0.129 | |
| Total number of observations | 20226 * | |
| Number of reflections | 6429 | |
| Completeness [%] | 92.8 | 88 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6 * | 22 * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HNC solution | 10 (mg/ml) | in 0.0018ml HNC solution |
| 10 | 1 | reservoir | 0.02 (%) | ||
| 2 | 1 | drop | MES-NaOH | 3 (mM) | in 0.0018ml HNC solution |
| 3 | 1 | drop | 100 (mM) | in 0.0018ml HNC solution | |
| 4 | 1 | drop | 5 (mM) | in 0.0018ml HNC solution | |
| 5 | 1 | drop | 0.02 (%) | in 0.0018ml HNC solution | |
| 6 | 1 | drop | SHBzlPp-AlaGly-NH2 | 90 (mM) | 0.002ml |
| 7 | 1 | drop | PEG6000 | 10 (%(m/v)) | in 0.006ml PEG solution |
| 8 | 1 | drop | MES-NaOH | 0.2 (M) | in 0.006ml PEG solution |
| 9 | 1 | reservoir | potassium phosphate | 0.8 (M) |
