4ZA0

Structure of Human Enolase 2 in complex with Phosphonoacetohydroxamate

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	67.790, 108.671, 112.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.023 - 2.310
R-factor	0.166
Rwork	0.164
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3UCC chain A
RMSD bond length	0.009
RMSD bond angle	0.638
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]	67.790	67.790	2.390
High resolution limit [Å]	2.310	8.940	2.310
Rmerge	0.220	0.062	0.840
Rpim	0.065	0.018	0.257
Total number of observations	460614	9200	41126
Number of reflections	37271
<I/σ(I)>	10.9	25	3.1
Completeness [%]	100.0	99.9	100
Redundancy	12.4	12.3	11.4
CC(1/2)	0.993	0.999	0.844

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 2 mM PhaH, 100 mM Bis-Tris, 200 mM ammonium acetate, 32% w/v PEG3350, pH 6.5