6DFL

WaaP in complex with acyl carrier protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	77
Detector technology	PIXEL
Collection date	2008-09-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9791
Spacegroup name	P 31 2 1
Unit cell lengths	92.023, 92.023, 99.172
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.122 - 2.396
R-factor	0.235
Rwork	0.233
R-free	0.26930
Structure solution method	SAD
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.694	79.694	2.404
High resolution limit [Å]	2.396	11.111	2.396
Rmerge	0.066	0.049	1.340
Rmeas	0.068	0.051	1.374
Rpim	0.015	0.012	0.303
Total number of observations	384314
Number of reflections	19544	230	222
<I/σ(I)>	32.7
Completeness [%]	100.0	99.1	100
Redundancy	19.7	16.3	20.3
CC(1/2)	0.999	0.999	0.927

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100mM HEPES pH 7.4, 5% Jeffamine M-600