6NN2

Xanthomonas citri PGM Apo-Phospho

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2018-03-28
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	43.789, 54.734, 174.255
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.350 - 1.440
R-factor	0.1725
Rwork	0.171
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.005
RMSD bond angle	0.874
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.350	1.460
High resolution limit [Å]	1.440	1.440
Rmerge	0.089	1.358
Rmeas	0.097	1.564
Rpim	0.037	0.755
Number of reflections	76942	3750
<I/σ(I)>	14.2	0.8
Completeness [%]	100.0	99.3
Redundancy	6.6	4
CC(1/2)	0.999	0.313

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	22% PEG 8000, 0.2M MgCl, 0.1M HEPES