6A1K

Phosphate acyltransferase PlsX from B.subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 2 2 2
Unit cell lengths	108.520, 144.760, 84.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.288 - 2.300
R-factor	0.2043
Rwork	0.202
R-free	0.23760
RMSD bond length	0.007
RMSD bond angle	0.976
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.290	2.382
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.428
Rmeas	0.118	0.510
Rpim	0.062	0.273
Number of reflections	29907	2564
<I/σ(I)>	11.5	3.1
Completeness [%]	96.2	90.9
Redundancy	6.4	5.6
CC(1/2)	0.993	0.929

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.08 M Tris 8.0, 0.16 M Li2SO4, 21% PEG 4000, 0.012 mM CYMAL 7, 5 % t-butanol