6JUZ

Crystal Structure of N-terminal domain of ArgZ(N71S) covalently bond to a reaction intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97916
Spacegroup name	P 1 21 1
Unit cell lengths	40.530, 87.549, 43.196
Unit cell angles	90.00, 93.74, 90.00

Refinement procedure

Resolution	25.026 - 1.210
R-factor	0.1661
Rwork	0.166
R-free	0.17540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6jv0
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.230
High resolution limit [Å]	1.210	3.280	1.210
Rmerge	0.054	0.042	0.489
Rmeas	0.061	0.048	0.564
Rpim	0.027	0.022	0.276
Number of reflections	89713	4435	4456
<I/σ(I)>	18.3
Completeness [%]	98.2	95.1	97.2
Redundancy	4.8	4.8	3.8
CC(1/2)		0.993	0.804

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.2 M KI, 0.1 M MES pH 6.5, 19% PEG 4000