7RMW

Crystal structure of B. subtilis PurR bound to ppGpp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1
Unit cell lengths	60.264, 90.969, 98.708
Unit cell angles	62.75, 75.36, 78.53

Refinement procedure

Resolution	80.494 - 2.450
R-factor	0.1957
Rwork	0.195
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p4a
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.500	2.520
High resolution limit [Å]	2.450	2.450
Rpim	0.039	0.277
Number of reflections	62863	4598
<I/σ(I)>	7.8	2.3
Completeness [%]	95.2
Redundancy	3
CC(1/2)	0.997	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.1 M MES pH 6.5, 18% PEG 1500