5BP3
Dehydratase domain (DH) of a mycocerosic acid synthase-like (MAS-like) PKS, crystal form 2
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 | 2014-05-09 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 67.060, 162.200, 59.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.968 - 1.450 |
R-factor | 0.1496 |
Rwork | 0.149 |
R-free | 0.17740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bp2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.309 |
Data reduction software | XDS (November 11, 2013) |
Data scaling software | XSCALE (VERSION July 4, 2012 BUILT=20131111) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.990 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.043 | |
Number of reflections | 115067 | |
<I/σ(I)> | 19.07 | |
Completeness [%] | 99.4 | 97 |
Redundancy | 6.5 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291.15 | Crystallization condition: 16 % (w/v) PEG 3350 0.25 M disodium malonate 0.1 M BIS-TRIS propane 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) |