2VPT
Clostridium thermocellum family 3 carbohydrate esterase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2005-11-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 77.977, 77.977, 66.800 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.140 - 1.400 |
| R-factor | 0.15468 |
| Rwork | 0.154 |
| R-free | 0.17579 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.399 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.500 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.090 | 0.420 |
| Number of reflections | 46638 | |
| <I/σ(I)> | 18.4 | 4.5 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 10.9 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 2% PEG 400, 0.1 M HEPES-NAOH, PH 7.5, AND 2.0 M AMMONIUM SULPHATE |
