5OLY

5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, monoclinic crystal form

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	2016-09-01
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.963
Spacegroup name	P 1 21 1
Unit cell lengths	57.737, 36.714, 107.853
Unit cell angles	90.00, 105.27, 90.00

Refinement procedure

Resolution	44.472 - 2.000
R-factor	0.2066
Rwork	0.204
R-free	0.25460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wf7
RMSD bond length	0.013
RMSD bond angle	1.278
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.472	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.058	0.058
Rpim	0.041	0.041
Number of reflections	28499	4249
<I/σ(I)>	14.2	6.3
Completeness [%]	94.9	98.4
Redundancy	2.8	2.9
CC(1/2)	0.997	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	25% P5000MME 150mM Na acetate