2C71
The structure of a family 4 acetyl xylan esterase from Clostridium thermocellum in complex with a magnesium 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 | 2004-10-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.064, 106.064, 35.466 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.410 - 1.050 |
| R-factor | 0.125 |
| Rwork | 0.124 |
| R-free | 0.14200 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.989 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.050 | 0.400 |
| Number of reflections | 89153 | |
| <I/σ(I)> | 20.8 | 3.5 |
| Completeness [%] | 20.8 | 91.3 |
| Redundancy | 3.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M MGCL 20% PEG 3350 |
