6NQF

Xanthomonas citri PGM Apo-Phospho at room temperature

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]	298
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	44.460, 55.490, 174.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.087 - 1.900
R-factor	0.1712
Rwork	0.170
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.007
RMSD bond angle	0.851
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]	44.460	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.104	1.259
Rmeas	0.118	1.442
Rpim	0.054	0.685
Number of reflections	34991	2215
<I/σ(I)>	8.2	0.9
Completeness [%]	99.7	99.4
Redundancy	4.7	4.3
CC(1/2)	0.997	0.368

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