5ZKL

Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT12

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	2016-11-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9785
Spacegroup name	I 41
Unit cell lengths	66.319, 66.319, 39.083
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.626 - 1.951
R-factor	0.1843
Rwork	0.181
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3obh
RMSD bond length	0.007
RMSD bond angle	0.785
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.047	0.040	0.281
Rmeas	0.051	0.044	0.312
Rpim	0.021	0.018	0.132
Total number of observations	36034
Number of reflections	6092	657	525
<I/σ(I)>	14.2
Completeness [%]	97.0	100	84.3
Redundancy	5.9	6	4.9
CC(1/2)		0.998	0.962

Crystallization Conditions

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