4XCB

Crystal Structure of HygX from Streptomyces hygroscopicus with nickel, 2-oxoglutarate, and hygromycin B bound

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	2014-08-17
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	50.220, 117.431, 185.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.352 - 1.600
R-factor	0.2232
Rwork	0.222
R-free	0.25290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xca
RMSD bond length	0.006
RMSD bond angle	1.106
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	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.054	0.027	0.344
Rmeas	0.062	0.031	0.407
Rpim	0.030	0.015	0.212
Total number of observations	461160
Number of reflections	126988
<I/σ(I)>	10.7
Completeness [%]	86.3	93.8	82.7
Redundancy	3.6	3.8	3.2
CC(1/2)		0.999	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	293	100 mM MES, 18% PEG20000