6JIQ

Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6

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	2018-07-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9789
Spacegroup name	I 41
Unit cell lengths	66.563, 66.563, 42.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.282 - 1.670
R-factor	0.2003
Rwork	0.200
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3obh
RMSD bond length	0.006
RMSD bond angle	0.820
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.670	3.600	1.670
Rmerge	0.051	0.040	0.467
Rmeas	0.055	0.043	0.515
Rpim	0.022	0.017	0.213
Number of reflections	10786	1121	1041
<I/σ(I)>	6.2
Completeness [%]	99.4	99.8	96
Redundancy	6.4	6.5	5.4
CC(1/2)		0.998	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	3.4	289	PEG 3350