4DOE
The liganded structure of Cbescii CelA GH9 module
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-29 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 147.931, 147.931, 59.098 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.620 - 1.561 |
| R-factor | 0.14939 |
| Rwork | 0.148 |
| R-free | 0.17514 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ksd |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.028 |
| Data reduction software | PROTEUM PLUS (PLUS) |
| Data scaling software | PROTEUM PLUS (PLUS) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.620 | 1.660 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Number of reflections | 103276 | |
| <I/σ(I)> | 15.73 | 2 |
| Completeness [%] | 98.0 | 91.8 |
| Redundancy | 16.06 | 8.27 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 1.6 M Ammonium sulfate, 0.1 M MES monohydrate pH 6.5, 10% v/v 1,4-Dioxane, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
