6C9U
Crystal structure of [KS3][AT3] didomain from module 3 of 6-deoxyerthronolide B synthase in complex with antibody fragment (Fab)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.768, 139.684, 102.580 |
| Unit cell angles | 90.00, 97.05, 90.00 |
Refinement procedure
| Resolution | 46.080 - 2.090 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.21000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qo3 1sbs |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.094 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.080 | 2.170 |
| High resolution limit [Å] | 2.092 | 2.090 |
| Number of reflections | 93106 | |
| <I/σ(I)> | 2.44 | |
| Completeness [%] | 93.9 | |
| Redundancy | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 200 mM potassium citrate, 20%(w/v) PEG 3,350 and 12% ethylene glycol) |
