6OTU

Crystal structure of a glucose-6-phosphate isomerase from Chlamydia trachomatis D/UW-3/Cx

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	2019-03-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 42 2 2
Unit cell lengths	95.660, 95.660, 124.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.647 - 2.250
R-factor	0.1599
Rwork	0.156
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6bzb
RMSD bond length	0.007
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.15_3459)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.647	44.647	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.100	0.032	0.599
Rmeas	0.105	0.034	0.631
Total number of observations	271137
Number of reflections	26976	347	1995
<I/σ(I)>	16.25	42.64	3.45
Completeness [%]	95.9	87.6	97.6
Redundancy	10.051	8.28	10.156
CC(1/2)	0.998	0.999	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	ChtrB.17127.a.B1.PW38523 at 18.94 mg/mL with 3 mM glucose-6-phosphate against MCSG3 screen condition C11 0.1 M Tris pH 8.5, 0.2 M ammonium acetate, 45% MPD, crystal tracking ID 305213c11, unique puck ID lyz8-7