6NOL

Xanthomonas citri Dephospho-PGM in complex with mannose-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	2018-01-31
Detector	RDI CMOS_8M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	43.680, 54.720, 173.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.262 - 1.730
R-factor	0.1931
Rwork	0.191
R-free	0.24880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.007
RMSD bond angle	0.878
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]	46.262	1.760
High resolution limit [Å]	1.730	1.730
Rmerge	0.358	2.696
Rmeas	0.373	2.850
Rpim	0.103	0.894
Number of reflections	44430	2414
<I/σ(I)>	12.7	0.7
Completeness [%]	99.9	99.9
Redundancy	11.7	9.1
CC(1/2)	0.996	0.352

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