1G43
CRYSTAL STRUCTURE OF A FAMILY IIIA CBD FROM CLOSTRIDIUM CELLULOLYTICUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-C |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-05-04 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 46.860, 46.860, 244.121 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.690 - 2.200 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1nbc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.700 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.690 | 2.340 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.073 | 0.337 |
| Total number of observations | 41312 * | |
| Number of reflections | 8466 | |
| <I/σ(I)> | 25.9 | |
| Completeness [%] | 94.3 | 76.6 * |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | drop consists of equal amounts of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.3 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 17 (%) | |
| 3 | 1 | reservoir | sodium cacodylate | 100 (mM) | |
| 4 | 1 | reservoir | zinc acetate | 15 (mM) |
