3IX0

Crystal structure of human seminal plasma protein PSP94

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	107.880, 107.880, 92.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.433 - 2.300
R-factor	0.2138
Rwork	0.211
R-free	0.26250
Structure solution method	SIRAS
RMSD bond length	0.008
RMSD bond angle	1.089
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.440	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.116	0.525
Number of reflections	24778
<I/σ(I)>	16.3	4.1
Completeness [%]	100.0	100
Redundancy	8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	0.1M sodium acetate pH 4.5, 0.2M lithium sulfate, 44-47% (v/v) PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 298K