4G2U

Crystal Structure Analysis of Ostertagia ostertagi ASP-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	75.178, 76.291, 81.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.835 - 1.850
R-factor	0.1919
Rwork	0.189
R-free	0.24010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nt8
RMSD bond length	0.008
RMSD bond angle	1.134
Data scaling software	SCALA (3.3.16)
Phasing software	BALBES
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.835	35.835	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.031	0.415
Rmeas		0.036	0.532
Rpim		0.019	0.325
Total number of observations		3958	9758
Number of reflections	37078
<I/σ(I)>	8.9	16.9	2.5
Completeness [%]	91.7	89.9	77.6
Redundancy	3.1	3.2	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	100mM Bis-Tris, 100mM ammonium sulfate, 25% PEG-3350, pH 6.5, Vapor diffusion, hanging drop, temperature 293K