2CIT
Structure of the covalent intermediate of a family 26 lichenase
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 | 2005-09-24 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.047, 62.830, 78.057 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.970 - 1.400 |
| R-factor | 0.152 |
| Rwork | 0.151 |
| R-free | 0.17900 |
| Structure solution method | OTHER |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.628 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.650 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.150 |
| Number of reflections | 48199 | |
| <I/σ(I)> | 19.3 | 8 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 4.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.15 M AMMONIUM SULPHATE, 30 % PEG 5K MME BUFFERED TO PH 6.5 WITH 0.1 M MES |
