6LC5
Crystal structure of barley exohydrolaseI W434F in complex with 4'-nitrophenyl thiolaminaribioside
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 | 100.774, 100.774, 180.169 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.960 - 1.760 |
| R-factor | 0.1412 |
| Rwork | 0.140 |
| R-free | 0.16890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wli |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.617 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.950 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.119 | 0.119 |
| Number of reflections | 87843 | 6288 |
| <I/σ(I)> | 36.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 1.7 M ammonium sulfate, 75 mM HEPES-NaOH buffer, pH 7, containing 7.5 mM sodium acetate and 1.2% (w/v) PEG 400 |
