5OLX

5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, orthorhomic 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)	0.969
Spacegroup name	P 21 21 21
Unit cell lengths	37.530, 54.164, 104.225
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.380
R-factor	0.15665
Rwork	0.154
R-free	0.20936
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	2.472
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.000	1.460
High resolution limit [Å]	1.380	1.380
Rmerge	0.145	0.700
Rpim	0.071	0.340
Number of reflections	43356	5975
<I/σ(I)>	6.7	1.9
Completeness [%]	98.0	94.4
Redundancy	4.8	4.7
CC(1/2)	0.993	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	25% PEG4000, 100 mM Na acetate