2C79
The structure of a family 4 acetyl xylan esterase from Clostridium thermocellum in complex with a colbalt ion.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-05 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 105.775, 105.775, 35.349 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.740 - 1.500 |
| R-factor | 0.132 |
| Rwork | 0.130 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c71 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.663 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.400 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.040 | 0.120 |
| Number of reflections | 32768 | |
| <I/σ(I)> | 26.4 | 13 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.1 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M MGCL2,20% PEG 3350 FOLLOWED BY A 5MM COCL2 SOAK |
