8SLM

Crystal structure of Deinococcus geothermalis PprI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	95
Detector technology	CCD
Collection date	2016-05-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 63 2 2
Unit cell lengths	120.770, 120.770, 100.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.330 - 2.810
R-factor	0.2489
Rwork	0.247
R-free	0.28420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.401
Data reduction software	HKL-2000
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.880
High resolution limit [Å]	2.800	12.560	2.810
Rmerge	0.041	0.023	0.541
Rmeas	0.047	0.027	0.621
Number of reflections	10704	118	783
<I/σ(I)>	21.44
Completeness [%]	96.9
Redundancy	4.1
CC(1/2)	0.999	0.998	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	1.7 M (NH4)2SO4, 0.1 M Bis-tris (pH 6.5), and 2.5 mM MnCl2