5BP1
Condensing di-domain (KS-AT) of a mycocerosic acid synthase-like (MAS-like) PKS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97940 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 77.530, 77.530, 371.220 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.822 - 2.203 |
R-factor | 0.2064 |
Rwork | 0.205 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hg4 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.663 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.822 | 2.330 |
High resolution limit [Å] | 2.203 | 2.203 |
Rmerge | 0.100 | 2.160 |
Number of reflections | 58427 | |
<I/σ(I)> | 17.9 | 1.34 |
Completeness [%] | 99.4 | 99 |
Redundancy | 12.9 | 13.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M MES/imidazole pH 6.5, 0.1 M MgCl2, 0.1 M CaCl2, 12.5 % (v/v) polyethylene glycol 1,000 (v/v), polyethylene glycol 3,350, 12.5 % 2-Methyl-2,4-pentanediol (MPD). |