5BP4

Modifying region (DH-ER-KR) of a mycocerosic acid synthase-like (MAS-like) PKS

This is a non-PDB format compatible entry.

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	2013-12-19
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97626
Spacegroup name	P 1
Unit cell lengths	151.380, 190.370, 270.840
Unit cell angles	95.58, 91.92, 103.65

Refinement procedure

Resolution	78.620 - 3.750
R-factor	0.2299
Rwork	0.230
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fr0 5bp2 2vz9
RMSD bond length	0.008
RMSD bond angle	0.970
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]	78.620	3.850
High resolution limit [Å]	3.750	3.750
Rmerge	0.250	3.159
Number of reflections	296164
<I/σ(I)>	8.95
Completeness [%]	99.9	98.9
Redundancy	9	9.26
CC(1/2)	0.996	0.449

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277.15	Crystallization condition: 0.052 M MgCl2, 0.052 M CaCl2, 5.88% (w/v) PEG 3350, 20 % (v/v) ethylene glycol, 0.05 M MES pH 7.0 Protein/buffer: 20.3 mg/ml protein, 1.5 mM NADP+, 0.02 mM HEPES pH 7.4, 0.25 M NaCl, 5 % (v/v) Glycerol, 0.005 M DTT. Seeding