9N4G

YehD Receptor Binding Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-08-06
Detector	NOIR-1
Wavelength(s)	0.976250
Spacegroup name	P 21 21 2
Unit cell lengths	102.787, 50.486, 71.877
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.310 - 1.700
R-factor	0.2357
Rwork	0.235
R-free	0.25610
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.681
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.310	1.761
High resolution limit [Å]	1.700	1.700
Rmerge	0.102	2.169
Rmeas	0.110	2.367
Number of reflections	41949	4127
<I/σ(I)>	15.66	0.75
Completeness [%]	98.8	99.78
Redundancy	6.9	6.3
CC(1/2)	0.999	0.388

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	0.2 M AmH2PO4, 20% w/v PEG 3350