1IA6
CRYSTAL STRUCTURE OF THE CELLULASE CEL9M OF C. CELLULOLYTICUM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FU581 |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-14 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.350, 53.010, 71.680 |
| Unit cell angles | 90.00, 108.70, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 1.800 |
| Rwork | 0.158 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Model with Cel9M sequence based on PDB ENTRY 1JS4. |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 * | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.083 | 0.295 |
| Total number of observations | 170027 * | |
| Number of reflections | 33837 | |
| <I/σ(I)> | 9 | 2.9 |
| Completeness [%] | 97.8 | 88.7 |
| Redundancy | 5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 18 * | ammonium sulphate, calcium chloride, HEPES, 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 | 0.1 (M) | ||
| 4 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
