6NB2

CRYSTAL STRUCTURE OF ENOLASE FROM LEGIONELLA PNEUMOPHILA BOUND TO 2-PHOSPHOGLYCERIC ACID AND MAGNESIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 42 21 2
Unit cell lengths	116.450, 116.450, 142.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.120 - 1.850
R-factor	0.147
Rwork	0.146
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z1y
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (DEV_3366)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.059	0.502
Number of reflections	84112	9340
<I/σ(I)>	24.24	4.92
Completeness [%]	100.0	100
Redundancy	10.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	MORPHEUS D6 (50 MM HEPES, 50 MM MOPS, PH 7.5, 20 MM 1,6 HEXANEDIOL, 20 MM 1-BUTANOL, 20 MM 1,2 PROPANEDIOL, 20 MM 2-PROPANOL, 20 MM 1,4-BUTANEDIOL; 20 MM 1,3- PROPANEDIOL, 20% GLYCEROL, 10% PEG 4000), TRAY 297441D6 PUCK VKP7- 5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K