6NQH

Xanthomonas citri Dephospho-PGM in complex with xylose-1-phosphate

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	2016-11-03
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	43.863, 54.626, 173.359
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.697 - 1.450
R-factor	0.1792
Rwork	0.177
R-free	0.21470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.006
RMSD bond angle	0.856
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]	57.790	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.061	0.642
Rmeas	0.067	0.762
Rpim	0.026	0.398
Number of reflections	54627	2590
<I/σ(I)>	18.2	1.6
Completeness [%]	72.8	70.5
Redundancy	5.9	3.3
CC(1/2)	0.999	0.564

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