7C0J

Crystal structure of chimeric mutant of GH5 in complex with Z-DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 1 21 1
Unit cell lengths	31.135, 47.305, 57.118
Unit cell angles	90.00, 98.41, 90.00

Refinement procedure

Resolution	28.876 - 2.750
R-factor	0.2243
Rwork	0.223
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hst
Data reduction software	HKL-2000 (720)
Data scaling software	HKL-2000 (720)
Phasing software	PHASER
Refinement software	PHENIX (1.16-3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.089	0.025	0.592
Rmeas	0.104	0.030	0.697
Rpim	0.054	0.016	0.364
Total number of observations	16934
Number of reflections	4625	247	235
<I/σ(I)>	7.4
Completeness [%]	99.8	98	100
Redundancy	3.7	3.5	3.5
CC(1/2)		0.998	0.822

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	MES pH 6.0, PEG 4000, ethylene glycol