3QRH

Crystal structure of fructose bisphosphate aldolase from Encephalitozoon Cuniculi, bound to glyceraldehyde 3-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	2011-02-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.977400
Spacegroup name	C 2 2 21
Unit cell lengths	122.540, 138.090, 62.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.460 - 2.000
R-factor	0.164
Rwork	0.163
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mbf
RMSD bond length	0.016
RMSD bond angle	1.395
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.052	0.019	0.438
Number of reflections	36353	444	2650
<I/σ(I)>	22.64	58.8	4.2
Completeness [%]	99.8	94.3	100
Redundancy	6		6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	290	10% PEG6000, 0.1 M HEPES, protein at ~22 mg/ml, glyceraldehyde 3-phosphate at 10 mM., pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K