6I5X

Crystal structure of Aspergillus fumigatus phosphomannomutase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-02-21
Detector	RIGAKU SATURN 944
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	80.425, 102.024, 137.791
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.600 - 2.200
R-factor	0.20056
Rwork	0.198
R-free	0.24448
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fue
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.600	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.149
Rmeas	0.173
Rpim	0.086
Number of reflections	56365
<I/σ(I)>	5.7
Completeness [%]	98.0
Redundancy	3.6
CC(1/2)	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.09 M NPS, 0.1 M MES/Imidazole pH 6.5, 20% v/v PEG500 MME, 10% w/v PEG 20000