1UP3
Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with METHYL-CELLOBIOSYL-4-DEOXY-4-THIO-BETA-D-CELLOBIOSIDE at 1.6 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2003-07-15 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.893, 93.058, 46.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.840 - 1.600 |
| R-factor | 0.14 |
| Rwork | 0.138 |
| R-free | 0.17400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | COMPLEX WITH SDP5 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.570 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.097 | 0.393 |
| Number of reflections | 35625 | |
| <I/σ(I)> | 13.2 | 3 |
| Completeness [%] | 98.6 | 95.6 |
| Redundancy | 4.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 14 % PEG 4K, 100 MM MES 6.5, 200 MM LISO4. THE PROTEIN WAS AT 10MG/ML AND INCUBATED WITH 1 MM OF LIGAND FOR 1 HOUR PRIOR CRYSTALLISATION. 30 % PEG 400 WAS ADDED AS CRYOPROTECTANT, pH 6.50 |
