9QCH

Complex of Ovine Serum Albumin with Cephalosporin C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 32 2 1
Unit cell lengths	120.310, 120.310, 123.019
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.970 - 2.198
R-factor	0.15934
Rwork	0.158
R-free	0.20868
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.538
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.330
High resolution limit [Å]	2.198	2.200
Rmerge	0.104	0.862
Rmeas	0.113	0.935
Number of reflections	52635	8324
<I/σ(I)>	14.5	2.26
Completeness [%]	99.8	99.2
Redundancy	6.6	6.7
CC(1/2)	0.998	0.724

Crystallization Conditions

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