5ZGO

Crystal structure of APRT2 from Thermus thermophilus HB8

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 1 21 1
Unit cell lengths	70.084, 83.179, 91.488
Unit cell angles	90.00, 102.07, 90.00

Refinement procedure

Resolution	45.000 - 2.600
R-factor	0.204
Rwork	0.201
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vch
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (v1.9-1692)
Refinement software	PHENIX (v1.9-1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.073	0.333
Rmeas	0.086	0.392
Rpim	0.044	0.204
Number of reflections	31724	1569
<I/σ(I)>	16.95	4.03
Completeness [%]	99.3	98.9
Redundancy	3.6	3.5
CC(1/2)		0.907

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	19% PEG 20K, 0.1 M Citrate-NaOH pH 6.0