6NNP

Xanthomonas citri Dephospho-PGM in complex with glucose-6-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	2017-12-15
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	43.780, 54.590, 171.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.027 - 1.500
R-factor	0.1798
Rwork	0.178
R-free	0.21120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.006
RMSD bond angle	0.890
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]	52.027	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.078	1.854
Rmeas	0.081	1.981
Rpim	0.024	0.672
Number of reflections	67042	2681
<I/σ(I)>	17.7	0.8
Completeness [%]	94.4	81.8
Redundancy	10.4	7.7
CC(1/2)	0.999	0.457

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