5C5G

Crystal Structure of Aspergillus clavatus Sph3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	93
Detector technology	CCD
Collection date	2014-08-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	44.748, 60.205, 98.595
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.748 - 1.248
R-factor	0.1495
Rwork	0.148
R-free	0.16630
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.217
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.290
High resolution limit [Å]	1.248	1.248
Rmerge	0.061	0.597
Number of reflections	141016
<I/σ(I)>	52.5	5.2
Completeness [%]	99.1	97.9
Redundancy	7.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.09 M HEPES:NaOH pH 7.5, 1.26 M sodium citrate, and 10% (v/v) glycerol
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.09 M HEPES:NaOH pH 7.5, 1.26 M sodium citrate, and 10% (v/v) glycerol