3P6B
The crystal structure of CelK CBM4 from Clostridium thermocellum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-02 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 65.949, 65.949, 272.436 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.480 - 2.000 |
| R-factor | 0.21493 |
| Rwork | 0.212 |
| R-free | 0.27354 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k4z |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.875 |
| 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] | 38.480 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.540 | |
| Number of reflections | 41971 | |
| <I/σ(I)> | 2.08 | |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 6.5 | 3.95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.5 M ammonium sulfate, 0.5 M Tris, 12% glycerol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
