6HN0

Complex of Ovine Serum Albumin with diclofenac

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 32 2 1
Unit cell lengths	121.680, 121.680, 121.770
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.360 - 2.120
R-factor	0.16721
Rwork	0.165
R-free	0.21377
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4luf
RMSD bond length	0.021
RMSD bond angle	2.032
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.120	2.120
Rmerge	0.130	1.427
Number of reflections	58784	7388
<I/σ(I)>	14.59	2.06
Completeness [%]	98.9	97.2
Redundancy	9.1	8.7
CC(1/2)	0.999	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.25	293	Tacsimate, PEG 400