1UP2
Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with glucose-isofagomine at 1.9 angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2003-05-15 |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.788, 92.830, 46.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 1.900 |
R-factor | 0.134 |
Rwork | 0.132 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | COMPLEX WITH SDP5 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.537 |
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 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.071 | 0.206 |
Number of reflections | 21248 | |
<I/σ(I)> | 14.6 | 4.9 |
Completeness [%] | 97.8 | 95.1 |
Redundancy | 2.8 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 12 % PEG 4K, 12 % PEG 4K, 100 MM SODIUM ACTETATE PH 4.6, 200 MM LISO4. THE PROTEIN WAS AT 10MG/ML AND INCUBATED WITH 1 MM OF GLUCOSE-ISOFAGOMINE FOR 1 HOUR PRIOR CRYSTALLISATION. 30% PEG 400 ADDED AS CRYOPROTECTANT |