5ZKM

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	I 41
Unit cell lengths	66.096, 66.096, 43.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.048 - 1.650
R-factor	0.1814
Rwork	0.179
R-free	0.20390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3obh
RMSD bond length	0.005
RMSD bond angle	0.731
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	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.070	0.051	0.348
Rmeas	0.077	0.057	0.388
Rpim	0.030	0.023	0.167
Total number of observations	73217
Number of reflections	11101	1172	908
<I/σ(I)>	11
Completeness [%]	97.2	98.9	80.4
Redundancy	6.6	6.4	4.5
CC(1/2)		0.996	0.938

Crystallization Conditions

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