9FPA

DUBS Parachlamydia sp. PcJOS orthorhombic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-11
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873128
Spacegroup name	P 21 21 21
Unit cell lengths	54.220, 108.180, 149.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.900 - 2.180
R-factor	0.1857
Rwork	0.184
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.915
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.1_5286: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.180	9.750	2.180
Rmerge	0.137	0.039	1.329
Rmeas	0.143	0.042	1.443
Number of reflections	46803	600	3382
<I/σ(I)>	10.03		1.37
Completeness [%]	99.9
Redundancy	7.7
CC(1/2)	0.997	0.998	0.613

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	Midas G6. 35 % v/v glycerol ethoxylate, 0.2 M lithium citrate