3ELD
Wesselsbron methyltransferase in complex with Sinefungin
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 | 2007-09-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.670, 66.132, 88.495 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.670 - 1.900 |
| R-factor | 0.17849 |
| Rwork | 0.176 |
| R-free | 0.22431 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3elu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.026 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.240 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.094 | 0.530 |
| Number of reflections | 22589 | |
| <I/σ(I)> | 11.3 | 2 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2mM Sinefungin, 20% PEG 4000, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
