3MBD

Crystal structure of fructose bisphosphate aldolase from Encephalitozoon cuniculi, bound to phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-11
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9774
Spacegroup name	C 2 2 21
Unit cell lengths	121.960, 137.610, 62.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.340 - 2.000
R-factor	0.16375
Rwork	0.162
R-free	0.19021
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qo5
RMSD bond length	0.015
RMSD bond angle	1.395
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.800	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.056	0.489
Number of reflections	35720
<I/σ(I)>	21.83	3.6
Completeness [%]	99.8	99.3
Redundancy	6.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	90% PACT SCREEN CONDITION F10, 10% ADDITIVE SCREEN G12: 90MM BIS-TRIS PROPANE PH 6.5, 18% PEG 3350, 18 MM NAKHPO4, 10 MM UREA, PROTEIN AT 24.7 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K