9QZK

SadB of Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-01
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	113.727, 162.278, 238.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.250 - 3.160
R-factor	0.2234
Rwork	0.222
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.921
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.250	3.277
High resolution limit [Å]	3.160	3.164
Number of reflections	75880	6330
<I/σ(I)>	8.82
Completeness [%]	98.3
Redundancy	6.9
CC(1/2)	0.994	0.691

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Optimal crystal growth conditions consisted of a reservoir content of 1 M ammonium citrate tribasic, pH 7, and 0.1 M Bis-Tris propane, pH 7.25. Crystals were gradually introduced into a cryo-protectant solution consisting of 1.1 M ammonium citrate tribasic, pH 7, 0.1 M Bis-Tris propane, pH 7 and 8% glycerol that was added to the mother-liquor, and flash-frozen in liquid N2