4ZPI

Crystal Structure of HygX from Streptomyces hygroscopicus with iron bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.739
Spacegroup name	P 21 21 21
Unit cell lengths	54.400, 108.989, 221.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.674 - 2.504
R-factor	0.173
Rwork	0.170
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xca
RMSD bond length	0.013
RMSD bond angle	1.110
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.094	0.041	0.584
Rmeas	0.107	0.046	0.683
Rpim	0.051	0.020	0.347
Total number of observations	149043
Number of reflections	40436
<I/σ(I)>	10.8
Completeness [%]	87.8	77.7	89.8
Redundancy	3.7	4.3	3.3
CC(1/2)		0.998	0.742

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.6 M succinic acid