6TGZ

IE1 from human cytomegalovirus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	2.033
Spacegroup name	C 2 2 21
Unit cell lengths	109.993, 134.125, 70.541
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.604 - 3.200
R-factor	0.2294
Rwork	0.225
R-free	0.26830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wid
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.604	48.604	3.280
High resolution limit [Å]	3.200	14.310	3.200
Rmerge	0.215
Rmeas	0.224	0.064	1.567
Number of reflections	8867	72	633
<I/σ(I)>	7.73	28.63	0.99
Completeness [%]	99.4	58.5	99.8
Redundancy	12.946	12.222	12.607
CC(1/2)	0.998	0.999	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	Na-malonate, PEG 3350