4XC9

Crystal Structure of apo HygX from Streptomyces hygroscopicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 2
Unit cell lengths	112.113, 274.427, 52.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.295 - 2.400
R-factor	0.1868
Rwork	0.183
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xca
RMSD bond length	0.008
RMSD bond angle	1.120
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.080	0.046	0.443
Total number of observations	228727
Number of reflections	61662
<I/σ(I)>	9.7
Completeness [%]	92.9	98.7	91.1
Redundancy	3.7	4.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	100 mM Bis-Tris, 100 mM MgCl2, 12% PEG8000