7MQ2

C9A Streptococcus pneumoniae CstR in the reduced state, space group P21

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	2019-09-26
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	59.440, 45.570, 64.950
Unit cell angles	90.00, 112.85, 90.00

Refinement procedure

Resolution	36.260 - 2.290
R-factor	0.2602
Rwork	0.258
R-free	0.29760
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.754
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]	45.570	2.370
High resolution limit [Å]	2.290	2.290
Rmeas	0.074	0.988
Rpim	0.028	0.374
Number of reflections	14665	1408
<I/σ(I)>	16.2	1.7
Completeness [%]	99.9	100
Redundancy	7	7
CC(1/2)	0.999	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.1 M HEPES pH 7.5, PEG 200 34-40%