7VRD

Crystal structure of Enolase1 from Candida albicans complexed with 2'-phosphoglyceric acid sodium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	264.264, 61.848, 111.752
Unit cell angles	90.00, 109.80, 90.00

Refinement procedure

Resolution	38.060 - 1.700
R-factor	0.1732
Rwork	0.172
R-free	0.19660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2al2
RMSD bond length	0.006
RMSD bond angle	1.212
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.069	0.034	0.500
Rmeas	0.075	0.037	0.541
Rpim	0.029	0.014	0.203
Total number of observations	1237061
Number of reflections	185469	18997	18306
<I/σ(I)>	7.7
Completeness [%]	99.6	99.8	98.9
Redundancy	6.7	6.5	6.9
CC(1/2)		0.999	0.921

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 20% w/v Polyethlene glycol 8,000