1E6Q
MYROSINASE FROM SINAPIS ALBA with the bound transition state analogue gluco-tetrazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-05-15 |
| 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 - 1.350 |
| R-factor | 0.119 * |
| Rwork | 0.119 |
| R-free | 0.14600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e4m |
| RMSD bond length | 0.022 |
| 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] | 17.500 | 1.420 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.076 | 0.278 |
| Number of reflections | 151092 | |
| <I/σ(I)> | 6.4 | 2.2 |
| Completeness [%] | 95.8 | 94.9 |
| Redundancy | 3.1 | 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) |
