6NNS

Xanthomonas citri Phospho-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	2018-03-28
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	43.720, 54.520, 172.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.561 - 1.450
R-factor	0.1799
Rwork	0.178
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.006
RMSD bond angle	0.844
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]	46.080	1.470
High resolution limit [Å]	1.450	1.450
Rmerge	0.117	1.724
Rmeas	0.122	1.912
Rpim	0.035	0.802
Number of reflections	73075	3033
<I/σ(I)>	16.4	0.7
Completeness [%]	98.4	84.2
Redundancy	11.9	5.4
CC(1/2)	0.999	0.367

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