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 |
