7VF6

The crystal structure of PurZ0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 43
Unit cell lengths	111.534, 111.534, 58.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.895 - 1.703
R-factor	0.1718
Rwork	0.171
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Phyre2 prediction structure
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.143	0.078	0.782
Rmeas	0.159	0.086	0.869
Rpim	0.068	0.036	0.378
Total number of observations	427033
Number of reflections	78554	4075	3940
<I/σ(I)>	6.7
Completeness [%]	100.0	99.9	100
Redundancy	5.4	5.5	5.3
CC(1/2)		0.991	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	1.26M ammonium sulfate, 0.2M lithium sulfate, 0.1M Tris, pH 8.5, 5mM GTP