6GUL

Siderophore hydrolase EstB mutant E211Q from Aspergillus fumigatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97264
Spacegroup name	P 21 21 21
Unit cell lengths	54.670, 91.830, 130.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.20641
Rwork	0.204
R-free	0.25058
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gud
RMSD bond length	0.003
RMSD bond angle	0.731
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.074	0.417
Number of reflections	29327
<I/σ(I)>	18	5
Completeness [%]	97.9	97.9
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	2 M ammonium sulfate