6HVN

CdaA-APO Y187A Mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	180
Detector technology	PIXEL
Collection date	2018-09-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976250
Spacegroup name	P 21 21 21
Unit cell lengths	46.490, 65.130, 131.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.942 - 2.234
R-factor	0.1859
Rwork	0.184
R-free	0.22580
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.942	50.000	2.330
High resolution limit [Å]	2.230	37.942	2.230
Rmerge	0.080		0.520
Rmeas	0.088		0.586
Total number of observations	114046
Number of reflections	19512		1915
<I/σ(I)>	15.66		2.8
Completeness [%]	97.1		79.3
Redundancy	5.845		4.157
CC(1/2)	0.998		0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293.15	4.0 M NaCl, 0.1 M Na-HEPES