6MNV

Crystal structure of X. citri phosphoglucomutase in complex with CH2FG1P

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	2017-11-13
Detector	RDI CMOS_8M
Wavelength(s)	1.00001
Spacegroup name	P 21 21 21
Unit cell lengths	43.650, 54.460, 171.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.300 - 1.650
R-factor	0.1744
Rwork	0.173
R-free	0.20430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bmn
RMSD bond length	0.006
RMSD bond angle	0.864
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.650	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.105	1.683
Rpim	0.041	0.573
Number of reflections	50208	2438
<I/σ(I)>	14.6	1.1
Completeness [%]	100.0	99.9
Redundancy	12.6	10.3
CC(1/2)	0.999	0.484

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	PEG 8K 22%, 0.2 M MgCl2, 0.1 M Hepes, pH 7.5