6NNN

Xanthomonas citri Dephospho-PGM in complex with glucose-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	2017-12-15
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	43.730, 54.510, 171.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.960 - 1.350
R-factor	0.1757
Rwork	0.174
R-free	0.20280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.006
RMSD bond angle	0.849
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]	52.000	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.074	1.411
Rmeas	0.077	1.521
Rpim	0.021	0.542
Number of reflections	91307	3675
<I/σ(I)>	18.4	0.9
Completeness [%]	98.3	83.8
Redundancy	12.4	7.1
CC(1/2)	0.999	0.403

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