6JIP

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	66.383, 66.383, 42.143
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.940 - 1.659
R-factor	0.1948
Rwork	0.194
R-free	0.21490
RMSD bond length	0.005
RMSD bond angle	0.690
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	1.720
High resolution limit [Å]	1.659	3.580	1.660
Rmerge	0.058	0.049	0.419
Rmeas	0.063	0.054	0.464
Rpim	0.025	0.022	0.195
Number of reflections	10917	1126	1043
<I/σ(I)>	7.1
Completeness [%]	99.5	99.7	97.2
Redundancy	6.2	6.1	5.3
CC(1/2)		0.998	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.8	289	PEG 3350