6NPX

Xanthomonas citri Dephospho-PGM in complex with mannose-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	2018-01-31
Detector	RDI CMOS_8M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	43.693, 54.334, 170.625
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.288 - 1.420
R-factor	0.1875
Rwork	0.185
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.006
RMSD bond angle	0.897
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]	45.830	1.450
High resolution limit [Å]	1.420	1.420
Rmerge	0.106	2.034
Rmeas	0.115	2.281
Rpim	0.045	1.005
Number of reflections	60987	3892
<I/σ(I)>	12.6	0.7
Completeness [%]	78.3	99.7
Redundancy	6.6	4.9
CC(1/2)	0.998	0.488

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