6OME

Crystal structure of a probable cytosol aminopeptidase (Leucine aminopeptidase, LAP) 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 63 2 2
Unit cell lengths	137.960, 137.960, 128.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.158 - 1.950
R-factor	0.1444
Rwork	0.143
R-free	0.17140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zi6
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]	45.158	45.158	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge	0.065	0.030	0.570
Rmeas	0.067	0.031	0.591
Number of reflections	52788	699	3844
<I/σ(I)>	27.75	63.76	5.27
Completeness [%]	100.0	98.3	100
Redundancy	14.566	11.702	14.82
CC(1/2)	1.000	0.999	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	ChtrB.00799.a.B1.PW38523 at 16.07 mg/mL with 2 mM L-Leucine set up against MCSG3 screen condition C8: 0.1 M Tris pH 8.5, 3.2 M NaCl; supplemented with 20% ethylene glycol as cryo-protectant; unique puck ID ejv5-2, crystal tracking ID 305504c8