6Z3O

The E74Q mutant of Small Alarmone Hydrolase SAH from Pseudomonas aeruginosa PAO1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-14
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	86.150, 86.050, 122.580
Unit cell angles	90.00, 101.77, 90.00

Refinement procedure

Resolution	43.062 - 1.740
Rwork	0.152
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6z3n
RMSD bond length	0.012
RMSD bond angle	1.766
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.280	1.770
High resolution limit [Å]	1.740	1.740
Number of reflections	89102	4525
<I/σ(I)>	7.3	1
Completeness [%]	89.6	99.9
Redundancy	3.8
CC(1/2)	0.994	0.422

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	14.6 mg/mL of PaSpo2 E74Q variant protein stock in the buffer of 25 mM Tris pH 8.0, 200 mM NaCl, 10 mM ppGpp and 10 mM MnCl2 is mixed 1:1 ratio with the precipitant consisted of 4.0 M NH4OAc, 0.1 M Bis-Tris propane, pH 7.0