4LUH

Complex of ovine serum albumin with 3,5-diiodosalicylic acid

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	2013-04-14
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	118.530, 118.530, 120.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.220 - 2.200
R-factor	0.17212
Rwork	0.171
R-free	0.20887
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4luf
RMSD bond length	0.019
RMSD bond angle	2.170
Data reduction software	MOSFLM
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.099	0.084
Number of reflections	50067
<I/σ(I)>	2.96	2.96
Completeness [%]	100.0	100
Redundancy	7.44	7.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	70% Tacsimate, 4% PPG 400, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K