7P5O

Crystal structure of Aspergillus fumigatus phosphoglucomutase in complex with the reaction intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-02
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.967700
Spacegroup name	P 21 21 2
Unit cell lengths	98.570, 209.610, 61.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.200 - 2.480
R-factor	0.2041
Rwork	0.201
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5epc
RMSD bond length	0.009
RMSD bond angle	1.629
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.200	2.530
High resolution limit [Å]	2.480	2.480
Number of reflections	44960	2259
<I/σ(I)>	11.2
Completeness [%]	98.4
Redundancy	4.2
CC(1/2)	0.994	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	90 mM sodium fluoride, 90 mM sodium bromide, 90 mM sodium iodide, 100 mM Tris-bicine pH 8.5, 20% v/v polyethylene glycol 550 MME, 10 % w/v polyethylene glycol 20000