1IA7
CRYSTAL STRUCTURE OF THE CELLULASE CEL9M OF C. CELLULOLYTICIUM IN COMPLEX WITH CELLOBIOSE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FU581 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-01-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.850, 52.380, 71.970 |
| Unit cell angles | 90.00, 108.46, 90.00 |
Refinement procedure
| Resolution | 16.000 * - 2.000 |
| Rwork | 0.168 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ia6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.412 |
| Total number of observations | 110767 * | |
| Number of reflections | 24339 | |
| <I/σ(I)> | 7.1 | 2.2 |
| Completeness [%] | 98.9 | 94.3 |
| Redundancy | 4.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 18 * | ammonium sulfate, calcium chloride, Hepes, Ethylene glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 3 | 1 | reservoir | 10 (mM) | ||
| 4 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 5 | 1 | reservoir | ethylene glycol | 10 (%) | |
| 6 | 1 | reservoir | cellobiose | 10 (mM) |
