4YBF

Aspartic Proteinase Sapp2 Secreted from Candida Parapsilosis at 1.25 A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.915
Spacegroup name	P 1 21 1
Unit cell lengths	49.138, 57.147, 54.553
Unit cell angles	90.00, 90.61, 90.00

Refinement procedure

Resolution	39.460 - 1.240
R-factor	0.1482
Rwork	0.147
R-free	0.17450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fv3
RMSD bond length	0.013
RMSD bond angle	1.615
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.310
High resolution limit [Å]	1.240	3.700	1.240
Rmerge	0.062	0.050	0.521
Rmeas	0.068	0.054	0.569
Total number of observations	554808
Number of reflections	84475	3300	13193
<I/σ(I)>	14.85	33.88	3.4
Completeness [%]	98.3	99.1	95.5
Redundancy	6.5		6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	PEG 400