2QO3
Crystal Structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.203, 139.005, 102.342 |
| Unit cell angles | 90.00, 106.14, 90.00 |
Refinement procedure
| Resolution | 41.520 - 2.590 |
| R-factor | 0.21679 |
| Rwork | 0.214 |
| R-free | 0.26806 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.942 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.136 | 0.688 |
| Number of reflections | 228471 | |
| <I/σ(I)> | 8.4 | 3.09 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1M HEPES pH7.0, 0.2M Li2SO4, 25% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
