1W9D
S. alba myrosinase in complex with S-ethyl phenylacetothiohydroximate- O-sulfate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-27 |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 135.300, 137.200, 80.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.600 |
| R-factor | 0.1886 |
| Rwork | 0.189 |
| R-free | 0.19500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e4m |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.799 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.050 | 0.320 |
| Number of reflections | 146755 | |
| <I/σ(I)> | 6.1 | 1.4 |
| Completeness [%] | 99.0 | 97.4 |
| Redundancy | 4.4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | HANGING DROP METHOD, 12 MG/ML PROTEIN IN 30 MM HEPES, PH 6.5, 0.05 % NAN3, PRECIPITANT 66% SAT. AMMONIUM SULFATE, 100MM TRIS-HCL PH 7.0 |
