2JJB
Family 37 trehalase from Escherichia coli in complex with casuarine-6- O-alpha-glucopyranose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.481, 117.863, 203.451 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.920 - 1.900 |
R-factor | 0.179 |
Rwork | 0.177 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jf4 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.383 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0065) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.100 | 0.520 |
Number of reflections | 174266 | |
<I/σ(I)> | 18.9 | 2.8 |
Completeness [%] | 99.6 | 96.2 |
Redundancy | 7.1 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.5 | 10-12 MG/ML PROTEIN. CRYSTALLISED FROM 1.7M AMMONIUM SULPHATE, 0.1M CITRIC ACID BUFFER, PH 3.5. |