6MD6
CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-11-22 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 100.311, 100.311, 182.153 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.130 - 1.680 |
R-factor | 0.13347 |
Rwork | 0.132 |
R-free | 0.15902 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ieq |
RMSD bond length | 0.020 |
RMSD bond angle | 2.282 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.360 | 1.780 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.076 | 0.760 |
Number of reflections | 101119 | |
<I/σ(I)> | 39.19 | 4 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 29.2 | 28 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 75MM HEPES-NAOH PH7.0, 1.2% PEG 400, 1.7M AMMONIUM SULPHATE , VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K |