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 |