4PO0

Crystal Structure of Leporine Serum Albumin in complex with naproxen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.8015
Spacegroup name	P 21 21 21
Unit cell lengths	74.440, 79.790, 102.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.110 - 2.730
R-factor	0.18974
Rwork	0.186
R-free	0.25869
Structure solution method	RIGID BODY REFINEMENT OF THE NATIVE STRUCTURE
Starting model (for MR)	4f5v
RMSD bond length	0.016
RMSD bond angle	2.056
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC (5.7.0032)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.830
High resolution limit [Å]	2.730	2.730
Rmerge	0.112	0.972
Number of reflections	16825
<I/σ(I)>	15.05	2.44
Completeness [%]	99.8	100
Redundancy	7.29	7.33

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	16% PEG 3350, 8% PPG 400, 0.2 M AMMONIUM ACETATE, 0.1 M TRIS PH 7.5., VAPOR DIFFUSION, HANGING DROP, temperature 293K