6OCK

Crystal Structure of Leporine Serum Albumin in Complex with Ketoprofen

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	2012-03-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.918
Spacegroup name	P 21 21 21
Unit cell lengths	73.690, 79.480, 103.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.080 - 1.900
R-factor	0.19172
Rwork	0.190
R-free	0.25263
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f5v
RMSD bond length	0.019
RMSD bond angle	2.014
Data reduction software	XDS
Data scaling software	XSCALE (VERSION Nov 1, 2016)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.046	1.223
Number of reflections	48629	6810
<I/σ(I)>	26.3	1.94
Completeness [%]	99.8	99.7
Redundancy	7.3	7.4
CC(1/2)	1.000	0.677

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	8% PPG 400, 0.2 M ammonium acetate, 16% PEG 3350, 0.1M TRIS