6EA3

Thermobifida fusca FscH adenylation domain complexed with MbtH-like protein FscK and Ser-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	C 1 2 1
Unit cell lengths	110.450, 68.760, 86.350
Unit cell angles	90.00, 104.81, 90.00

Refinement procedure

Resolution	27.827 - 1.650
R-factor	0.1655
Rwork	0.165
R-free	0.18640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gr4
RMSD bond length	0.018
RMSD bond angle	1.500
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.827	27.827	1.750
High resolution limit [Å]	1.650	10.000	1.650
Rmerge	0.047	0.022	0.343
Rmeas	0.056	0.027	0.418
Total number of observations	455412
Number of reflections	143171	626	22350
<I/σ(I)>	14.37	37.21	2.89
Completeness [%]	96.8	94.6	93.2
Redundancy	3.181	3.11	3.05
CC(1/2)	0.999	0.999	0.868

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291.15	PEG 8000, sodium chloride, BisTris