7P6F

1.93 A resolution X-ray crystal structure of the transcriptional regulator SrnR from Streptomyces griseus

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97622
Spacegroup name	P 62 2 2
Unit cell lengths	113.358, 113.358, 124.943
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	51.670 - 1.930
Rwork	0.178
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f6v
RMSD bond length	0.012
RMSD bond angle	1.756
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.940	1.980
High resolution limit [Å]	1.930	1.930
Rmerge	0.126	1.670
Rmeas	0.138	1.827
Rpim	0.041	0.541
Number of reflections	36223	2377
<I/σ(I)>	11.6	1.5
Completeness [%]	100.0	100
Redundancy	11.4	11.7
CC(1/2)	0.999	0.633

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	8.5	293	1 uL of SrnR 12.5 mg mL-1 (in 20 mM TrisHCl PH 7.5, 150 mM NaCl, 1 mM TCEP) were added to 20 uL of volatile oil, immediately followed by 1 uL of precipitant containing 0.2 M calcium acetate hydrate, 0.1 M TrisHCl 8.5, 15 % w/v PEG 4000 (G6 condition of CSSII screening by Molecular Dimensions).