3PDG
Structures of Clostridium thermocellum CbhA fibronectin(III)-like modules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-09 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 42.316, 42.316, 116.756 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.780 |
| R-factor | 0.23217 |
| Rwork | 0.230 |
| R-free | 0.27050 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.980 |
| Data reduction software | SAINT |
| Data scaling software | PROTEUM PLUS |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Number of reflections | 10862 | |
| <I/σ(I)> | 2.72 | |
| Completeness [%] | 99.7 | 98.9 |
| Redundancy | 12.67 | 4.51 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 294 | 1.9 M Sodium Malonate, pH 6.0, VAPOR DIFFUSION, temperature 294K |
