6QUR

Mapping the allosteric communication network of aminodeoxychorismate synthase

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	2017-07-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	47.755, 58.390, 71.583
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.730 - 1.792
R-factor	0.2173
Rwork	0.215
R-free	0.26710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.886
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.730	1.856
High resolution limit [Å]	1.792	1.790
Rmerge	0.065	1.935
Rmeas	0.067	2.023
Rpim	0.019	0.580
Number of reflections	19372	1880
<I/σ(I)>	23.52	1.27
Completeness [%]	99.9	99.16
Redundancy	13	11.8
CC(1/2)	1.000	0.866

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	PEG