5BP2
Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-08 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.99987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.650, 162.400, 66.620 |
| Unit cell angles | 90.00, 91.38, 90.00 |
Refinement procedure
| Resolution | 66.600 - 1.750 |
| R-factor | 0.1829 |
| Rwork | 0.183 |
| R-free | 0.20320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kg9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.600 | 1.790 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.042 | |
| Number of reflections | 123118 | |
| <I/σ(I)> | 12.32 | |
| Completeness [%] | 96.8 | 91.6 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291.15 | Crystallization condition: 25 % (w/v) PEG 3350 0.2 M MgCl2 0.1 M BIS-TRIS pH 6.5 Protein/buffer: 38 mg/ml protein 0.02 M HEPES pH 7.4 0.25 M NaCl 5 % (v/v) Glycerol 0.005 M DTT Cryo: 25 % (v/v) Ethylene glycol (final) |
