1UP7
Structure of the 6-phospho-beta glucosidase from Thermotoga maritima at 2.4 Angstrom resolution in the tetragonal form with NAD and glucose-6-phosphate
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 | 2003-06-15 |
Detector | ADSC CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 178.132, 178.132, 278.927 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.960 - 2.400 |
R-factor | 0.201 |
Rwork | 0.199 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SE-MET STRUCTURE |
RMSD bond length | 0.013 |
RMSD bond angle | 1.425 |
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 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.083 | 0.461 |
Number of reflections | 170857 | |
<I/σ(I)> | 22.4 | 3.5 |
Completeness [%] | 98.3 | 98.3 |
Redundancy | 6.8 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.6 | 200 MM CALCIUM ACETATE, 100MM SODIUM ACETATE PH 4.6, 25% PEG500DME, 0.2MM NAD+, 1MM PNP-BETA-D-GLUCOSE-6-PHOSPHATE, 2MM MNS04. PROTEIN AT 5 MG/ML WITH THE COFACTORS IN THE SAME CONCENTRATION AS ABOVE. |