1EEX
CRYSTAL STRUCTURE OF THE DIOL DEHYDRATASE-ADENINYLPENTYLCOBALAMIN COMPLEX FROM KLEBSIELLA OXYTOCA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-10-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.380, 121.400, 207.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.164 |
| Rwork | 0.161 |
| R-free | 0.22600 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.024 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.079 | 0.171 |
| Total number of observations | 4543847 * | |
| Number of reflections | 177514 | |
| <I/σ(I)> | 17.8 | |
| Completeness [%] | 86.0 | 61.8 |
| Redundancy | 9.49 | 4.83 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | vapor diffusion, sandwich drop | 8 | 277 | Masuda, J., (1999) Acta Crystallogr, D55, 907. * |
| 1 | vapor diffusion, sandwich drop | 8 | 277 | Masuda, J., (1999) Acta Crystallogr, D55, 907. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | Tris-HCl | 20 (mM) | |
| 2 | 1 | 1 | ammonium sulfate | 0.24 (M) | |
| 3 | 1 | 1 | PEG6000 | 15 (%) | |
| 4 | 1 | 1 | LDAO | 0.20 (%) |
