1QUB
CRYSTAL STRUCTURE OF THE GLYCOSYLATED FIVE-DOMAIN HUMAN BETA2-GLYCOPROTEIN I PURIFIED FROM BLOOD PLASMA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-09-27 |
| Detector | ADSC |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 161.170, 166.490, 114.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.700 |
| R-factor | 0.25 |
| Rwork | 0.249 |
| R-free | 0.26900 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.900 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.089 | 0.363 |
| Number of reflections | 42497 | |
| <I/σ(I)> | 5.8 | 2 |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 * | 4 * | 1.5 M ammonium sulphate 20 mM cadmium chloride 2 % (v/v) glycerol 100 mM HEPES 1.5 M AMMONIUM PHOSPHATE 100 MM SODIUM ACETATE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6.5 (mg/ml) | |
| 2 | 1 | drop | 150 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 50 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 1.5 (M) | |
| 5 | 1 | reservoir | glycerol | 2 (%(v/v)) | |
| 6 | 1 | reservoir | 20 (mM) | ||
| 7 | 1 | reservoir | HEPES | 0.1 (M) |
