6O4N

Crystal Structure of Enolase from Chlamydia trachomatis

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	2019-02-07
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	I 4
Unit cell lengths	164.280, 164.280, 89.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.876 - 1.800
R-factor	0.1389
Rwork	0.137
R-free	0.16300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mks
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.876	41.876	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.072	0.054	0.560
Rmeas	0.080	0.061	0.624
Total number of observations	560618
Number of reflections	110319	1285	8079
<I/σ(I)>	13.5	27.6	2.8
Completeness [%]	99.9	98.3	100
Redundancy	5.082	4.795	5.06
CC(1/2)	0.997	0.995	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	ChtrB.00084.a.B1.PW38531 at 13.38 mg/ml was incubated with 2 mM 2-Phosphoglyceric acid, then was mixed 1:1 with Morpheus(e12): 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) MPD, 0.1 M bicine/Trizma base, pH 8.5, and 0.03 M each diethyleneglycol, triethyleneglycol, tetraethyleneglycol, pentaethyleneglycol. Tray: 305547e12, puck: vvm7-8.