5EU9

Structure of Human Enolase 2 in complex with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 1 21 1
Unit cell lengths	119.251, 110.310, 136.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.928 - 2.047
R-factor	0.154
Rwork	0.154
R-free	0.19190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zcw
RMSD bond length	0.012
RMSD bond angle	1.039
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	89.930	89.930	2.080
High resolution limit [Å]	2.050	11.210	2.050
Rmerge	0.200	0.052	0.994
Rpim	0.083	0.023	0.420
Total number of observations	1464678	9524	64432
Number of reflections	217213
<I/σ(I)>	6.4	10.4	2
Completeness [%]	97.6	98.2	91.7
Redundancy	6.7	6.7	6.4
CC(1/2)	0.988	0.998	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100 mM Bis-Tris, pH 6.5, 200 mM ammonium acetate, 18-22% w/v PEG3350, soak overnight in 2 mM compound, 100 mM Bis-Tris, 200 mM ammonium acetate, 32% w/v PEG3350, pH 6.5