4ZCW

Structure of Human Enolase 2 in complex with SF2312

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	2014-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.11587
Spacegroup name	P 21 21 21
Unit cell lengths	68.300, 109.460, 117.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.686 - 1.992
R-factor	0.159
Rwork	0.157
R-free	0.20230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3UCC chain A
RMSD bond length	0.018
RMSD bond angle	1.396
Data reduction software	iMOSFLM (7.1.1)
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.020	80.020	2.040
High resolution limit [Å]	1.990	8.910	1.990
Rmerge	0.092	0.031	0.449
Rpim	0.038	0.013	0.189
Total number of observations	428996	5063	28844
Number of reflections	60867
<I/σ(I)>	13.3	26.8	3.8
Completeness [%]	100.0	99.2	99.6
Redundancy	7	6.4	6.6
CC(1/2)	0.997	0.999	0.906

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, overnight crystal soak in 4 mM SF2312, 100 mM Bis-Tris, 200 mM ammonium acetate, 32% w/v PEG3350, pH 6.5