1NQD
CRYSTAL STRUCTURE OF CLOSTRIDIUM HISTOLYTICUM COLG COLLAGENASE COLLAGEN-BINDING DOMAIN 3B AT 1.65 ANGSTROM RESOLUTION IN PRESENCE OF CALCIUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-01 |
| Detector | BRANDEIS |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.867, 59.401, 48.572 |
| Unit cell angles | 90.00, 98.73, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.650 |
| R-factor | 0.1908 |
| Rwork | 0.185 |
| R-free | 0.25400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | APO-COLGS3B |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.024 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.058 * | |
| Number of reflections | 27436 | |
| <I/σ(I)> | 12.64 | 4.36 |
| Completeness [%] | 98.6 | 90.9 |
| Redundancy | 4.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 4 * | PEG 3350, lithium chloride, sodium acetate, glycerol, calcium nitrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG3350 | 22-25 (%) | |
| 2 | 1 | reservoir | sodium acetate | 100 (mM) | pH4.6 |
| 3 | 1 | reservoir | 600 (mM) | ||
| 4 | 1 | reservoir | glycerol | 10 (%) | |
| 5 | 1 | drop | protein | 25000 (ng/ml) | |
| 6 | 1 | drop | EGTA | 0.2 (mM) |
