1E6X
MYROSINASE FROM SINAPIS ALBA with a bound transition state analogue,D-glucono-1,5-lactone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-15 |
| 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 | 10.000 - 1.600 |
| R-factor | 0.138 * |
| Rwork | 0.138 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e4m |
| RMSD bond length | 0.021 |
| RMSD bond angle | 0.036 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.100 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.089 | 0.337 |
| Number of reflections | 99783 | |
| <I/σ(I)> | 5.3 | 1.7 |
| Completeness [%] | 97.1 | 91.3 |
| Redundancy | 3.3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 * | Burmeister, W.P., (1997) Structure (London), 5, 663. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | myrosinase | 12 (mg/ml) | |
| 2 | 1 | drop | HEPES | 30 (mM) | |
| 3 | 1 | drop | 0.05 (%) | ||
| 4 | 1 | reservoir | ammonium sulfate | 66 (%sat) | |
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) |
