1DAK
DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACTION INTERMEDIATE ADP AND MIXED ANHYDRIDE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID09 |
| Synchrotron site | ESRF |
| Beamline | ID09 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1997-10 |
| Detector | PRINCETON 2K |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.680, 48.190, 61.070 |
| Unit cell angles | 90.00, 106.58, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.184 * |
| Rwork | 0.184 |
| R-free | 0.21000 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 1dah WITH NON-PROTEIN ATOMS EXCLUDED |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.078 * | 0.430 * |
| Number of reflections | 86120 | |
| <I/σ(I)> | 16 | 2.8 |
| Completeness [%] | 99.0 | 92.4 |
| Redundancy | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 6.5 * | drop contained 0.003ml of protein solution mixed with 0.074ml of well solution. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | reservoir | sodium cacodylate | 100 (mM) | |
| 3 | 1 | reservoir | 100 (mM) | ||
| 4 | 1 | reservoir | PEG8000 | 9-12 (%) |
