2E4T
Crystal structure of Cel44A, GH family 44 endoglucanase from Clostridium thermocellum
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000, 1.2824, 0.9800 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.077, 59.155, 170.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 0.960 |
R-factor | 0.13332 |
Rwork | 0.133 |
R-free | 0.14606 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.788 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 0.990 |
High resolution limit [Å] | 0.960 | 0.960 |
Number of reflections | 292562 | |
<I/σ(I)> | 22.1 | 2.32 |
Completeness [%] | 98.9 | 91.7 |
Redundancy | 5.3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 14% PEG 3350, 0.1M MES-NaOH pH 5.8, 6mM ZnSO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |