8DLA

ClpP2 from Chlamydia trachomatis bound by MAS1-12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-10-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	97.000, 98.010, 97.970
Unit cell angles	97.16, 114.15, 114.16

Refinement procedure

Resolution	33.090 - 2.660
R-factor	0.1749
Rwork	0.173
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jct
RMSD bond length	0.005
RMSD bond angle	1.161
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.090	2.860
High resolution limit [Å]	2.660	2.660
Rmerge	0.079
Rmeas	0.112
Number of reflections	63377	3388
<I/σ(I)>	5.1
Completeness [%]	90.8
Redundancy	1.9
CC(1/2)	0.991	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	296	46.6% v/v pH 7.0 TacsimateTM (Hampton Research) and 0.5 mM polyoxotungstate [TeW6O24]6- (TEW) (Jena Biosciences)