5ZQH

Crystal structure of Streptococcus transcriptional regulator

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-28
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00003
Spacegroup name	C 1 2 1
Unit cell lengths	82.301, 30.612, 51.481
Unit cell angles	90.00, 127.89, 90.00

Refinement procedure

Resolution	40.630 - 2.400
R-factor	0.2912
Rwork	0.291
R-free	0.29820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4esf
RMSD bond length	0.008
RMSD bond angle	1.560
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.038	0.035	0.075
Rmeas	0.047	0.043	0.091
Rpim	0.027	0.025	0.051
Number of reflections	4026	178	200
<I/σ(I)>	30
Completeness [%]	97.8	78.1	100
Redundancy	3	2.7	3.1
CC(1/2)		0.993	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	291	0.2M Ammonium sulfate, 25% PEG3350