2WYN
Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue
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 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.349, 117.017, 203.565 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 101.530 - 2.100 |
R-factor | 0.16173 |
Rwork | 0.159 |
R-free | 0.20918 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jjb |
RMSD bond length | 0.014 |
RMSD bond angle | 1.475 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.130 | 0.510 |
Number of reflections | 131010 | |
<I/σ(I)> | 13.9 | 3.9 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.7 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.5 | 11MG/ML PROTEIN, 2.0M AMMONIUM SULPHATE, 0.1M CITRATE BUFFER, PH 3.5, 10MM SARCOSINE. |