7MQ1

C9A Streptococcus pneumoniae CstR in the reduced state, space group C2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-04-28
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	C 1 2 1
Unit cell lengths	93.302, 54.869, 57.514
Unit cell angles	90.00, 115.73, 90.00

Refinement procedure

Resolution	43.040 - 2.020
R-factor	0.2075
Rwork	0.205
R-free	0.25760
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.978
Data reduction software	Aimless
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.040	2.070
High resolution limit [Å]	2.020	2.020
Rmeas	0.055	0.910
Rpim	0.029	0.497
Number of reflections	17243	1273
<I/σ(I)>	10.8	1.1
Completeness [%]	99.6	99.9
Redundancy	3.6	3.3
CC(1/2)	0.999	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	MES 0.1 M pH 5.5, (NH4)2SO4 0.25 M, PEG 4000 15-18%