7ZM9

Ketosynthase domain 3 of Brevibacillus Brevis orphan BGC11

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	2018-03-02
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	126.780, 92.690, 99.270
Unit cell angles	90.00, 92.54, 90.00

Refinement procedure

Resolution	60.483 - 1.620
R-factor	0.1524
Rwork	0.152
R-free	0.16750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z37
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.483	1.660
High resolution limit [Å]	1.620	1.620
Number of reflections	145063	10662
<I/σ(I)>	16.6	1.01
Completeness [%]	99.7	99.4
Redundancy	6.8
CC(1/2)		0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2 ul drop of 12 mg/ml protein in buffer (20 mM Hepes KOH pH 8.0, 250 mM NaCl, 5 % v/v glycerol, 5 mM DTT) with 0.2 ul of reservoir solution (1 % w/v PEG MME 2k, 1 M Na succinate)