3KX6

Crystal structure of fructose-1,6-bisphosphate aldolase from Babesia bovis at 2.1A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.975484
Spacegroup name	P 21 21 21
Unit cell lengths	85.880, 114.160, 174.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.162
Rwork	0.160
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2PC4 modified with CCP4 program CHAINSAW
RMSD bond length	0.016
RMSD bond angle	1.425
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0104)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.071	0.388
Number of reflections	99984
<I/σ(I)>	19.7	5.1
Completeness [%]	99.2	100
Redundancy	8	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	290	EBS CRYO SCREEN H12: 50% PEG 200, 100MM PHOSPHATE/CITRATE PH 4.2, 200MM NACL; BABOA.00974.A AT 30MG/ML, PH N/A, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K