7DVV

Heme sensor protein PefR from Streptococcus agalactiae bound to operator DNA (28-mer)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00
Spacegroup name	P 32 1 2
Unit cell lengths	100.973, 100.973, 128.989
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.060 - 2.490
R-factor	0.2189
Rwork	0.217
R-free	0.24630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7dvs 4lln
RMSD bond length	0.010
RMSD bond angle	1.885
Data reduction software	XDS (Jun 1, 2017)
Data scaling software	XSCALE (Jun 1, 2017)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.060	47.060	2.650
High resolution limit [Å]	2.490	7.400	2.490
Rmerge	0.083	0.028	1.769
Rmeas	0.089	0.030	1.911
Total number of observations	357952
Number of reflections	26423	1976	8222
<I/σ(I)>	14.63	56.8	1
Completeness [%]	99.9	99.4	99.4
Redundancy	6.992	7.07	7.052
CC(1/2)	0.999	0.999	0.562

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	25%(w/v) PEGMME 2000, 0.2 M lithium sulfate, 0.1 M MES