3PDD
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 | 2009-09-01 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.905, 58.087, 78.842 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.940 - 1.720 |
| R-factor | 0.16959 |
| Rwork | 0.167 |
| R-free | 0.22639 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.792 |
| Data reduction software | SAINT |
| Data scaling software | PROTEUM PLUS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.810 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Number of reflections | 23576 | |
| <I/σ(I)> | 2.6 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.13 | 5.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.1 | 294 | 0.2 M CaCl2 and 20% (w/v) PEG 3350, pH 5.1, VAPOR DIFFUSION, temperature 294K |
