5OLW

5-fluorotryptophan labeled beta-phosphoglucomutase in an open conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-04
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.966
Spacegroup name	P 21 2 21
Unit cell lengths	61.005, 73.971, 120.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.865 - 2.280
R-factor	0.207
Rwork	0.204
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2whe
RMSD bond length	0.011
RMSD bond angle	1.287
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.220	2.350
High resolution limit [Å]	2.280	2.280
Rmerge	0.084	0.450
Rpim	0.069	0.360
Number of reflections	25484	2323
<I/σ(I)>	8.9	2.8
Completeness [%]	99.7	100
Redundancy	3.9	4.2
CC(1/2)	0.990	0.915

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M calcium chloride dihydrate, 20% w/v PEG 6000 and 0.1M Tris