3MKK
The crystal structure of the D307A mutant of glycoside HYDROLASE (FAMILY 31) from Ruminococcus obeum ATCC 29174 in complex with isomaltose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.449, 125.507, 87.867 |
Unit cell angles | 90.00, 107.85, 90.00 |
Refinement procedure
Resolution | 41.440 - 1.910 |
R-factor | 0.17276 |
Rwork | 0.170 |
R-free | 0.21848 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3FFJ |
RMSD bond length | 0.014 |
RMSD bond angle | 1.409 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.500 | 1.950 |
High resolution limit [Å] | 1.910 | 1.920 |
Rmerge | 0.082 | 0.640 |
Number of reflections | 107674 | |
<I/σ(I)> | 15.8 | 1.45 |
Completeness [%] | 99.4 | 93.2 |
Redundancy | 3.7 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 289 | 0.1M BIS-TRIS, 25% PEG3350, 300mM ISOMALTOSE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |