6NQG

Xanthomonas citri Phospho-PGM in complex with glucopyranosyl-1-methyl-phosphonic acid 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	2018-03-28
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	44.410, 54.680, 173.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.151 - 2.050
R-factor	0.1838
Rwork	0.180
R-free	0.25180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.013
RMSD bond angle	0.941
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]	52.151	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.482	5.633
Rmeas	0.500	5.880
Rpim	0.133	1.661
Number of reflections	27455	2105
<I/σ(I)>	6.5	0.6
Completeness [%]	100.0	100
Redundancy	13.8	12.3
CC(1/2)	0.989	0.301

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