5U7S

Crystal structure of a fructose-bisphosphate aldolase, class II, Calvin cycle subtype from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-20
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	134.110, 83.120, 99.390
Unit cell angles	90.00, 131.98, 90.00

Refinement procedure

Resolution	40.484 - 2.500
R-factor	0.2024
Rwork	0.199
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.972
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.484	40.484	2.570
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.073	0.036	0.473
Rmeas	0.079
Total number of observations	178325
Number of reflections	26739
<I/σ(I)>	16.15	41.98	2.59
Completeness [%]	94.1	95.1	81.4
Redundancy	6.669	6.805	4.274
CC(1/2)	0.998	0.997	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	AcbaC.01416.a.A1.PS02365 at 24 mg/mL against Morpheus G6 10% PEG 8000, 20% EG, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM trisodium potassium tartrate, 20 mM sodium oxamate, 0.1 M MOPS/Hepes pH 7.5, crystal ID 262645g6