6CK4

G96A mutant of the PRPP riboswitch from T. mathranii bound to ppGpp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1
Unit cell lengths	53.252, 62.147, 125.909
Unit cell angles	91.18, 89.61, 101.94

Refinement procedure

Resolution	36.539 - 3.097
R-factor	0.2509
Rwork	0.248
R-free	0.30410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.852
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.12-2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.150
High resolution limit [Å]	3.097	8.390	3.100
Rmerge	0.099	0.032	1.222
Rmeas	0.130	0.042	1.604
Rpim	0.082	0.026	1.026
Number of reflections	26741	1332	1309
<I/σ(I)>	3.9
Completeness [%]	93.7	93.2	94.7
Redundancy	2.2	2.3	2.1
CC(1/2)		0.992	0.253

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.5	296.15	1 uL 150 uM RNA in 10 mM magnesium chloride, 10 mM potassium chloride, 10 mM HEPES-KOH, pH 7.5, 1 mM ppGpp, mixed with 0.8 uL 80 mM sodium chloride, 40 mM sodium cacodylate, pH 7.0, 30% MPD, 12 mM spermine