3K4Z
Crystal Structure of the Cellulosomal CBM4 from Clostridium thermocellum Cellulase CbhA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-18 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 60.578, 94.315, 113.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.040 - 2.110 |
| R-factor | 0.16391 |
| Rwork | 0.161 |
| R-free | 0.22447 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1RQ5 and 1GU3 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.790 |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.5.0100) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.210 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Number of reflections | 19105 | |
| <I/σ(I)> | 10.83 | 2.51 |
| Completeness [%] | 99.7 | 99.1 |
| Redundancy | 4.1 | 2.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 30% PEG 4000, 0.2 M magnesium chloride hexahydrate, Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
