6NN1

Xanthomonas citri PGM Apo-Dephospho

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	2017-12-15
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	44.020, 54.610, 171.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.020 - 1.500
R-factor	0.1739
Rwork	0.172
R-free	0.20540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.006
RMSD bond angle	0.840
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]	44.020	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.107	2.950
Rmeas	0.111	3.081
Rpim	0.030	0.884
Number of reflections	67541	3302
<I/σ(I)>	14.8	0.6
Completeness [%]	100.0	100
Redundancy	13.3	12
CC(1/2)	0.999	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	22% PEG 8000, 0.2M MgCl, 0.1M HEPES