3UJE

Asymmetric complex of human neuron specific enolase-3-PGA/PEP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-04-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	109.602, 119.726, 68.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.680 - 1.550
R-factor	0.1485
Rwork	0.146
R-free	0.19148
Starting model (for MR)	1te6
RMSD bond length	0.028
RMSD bond angle	2.117
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.053	0.041	0.262
Number of reflections	112787
<I/σ(I)>	15.1
Completeness [%]	87.5	96.9	49.5
Redundancy	5.4	6.3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	20% PEG4K, 0.2M MgCl2, 0.1M Tris-HCl, pH 8.5, vapor diffusion, hanging drop, temperature 298K