6QS9

Bovine Serum Albumin in complex with Ketoprofen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	212.486, 44.374, 142.715
Unit cell angles	90.00, 113.24, 90.00

Refinement procedure

Resolution	46.585 - 2.802
R-factor	0.2181
Rwork	0.215
R-free	0.27230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4or0
RMSD bond length	0.011
RMSD bond angle	1.329
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.590	2.890
High resolution limit [Å]	2.800	2.800
Rmerge	0.030
Number of reflections	30574
<I/σ(I)>	17.2
Completeness [%]	99.5
Redundancy	2.8
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	18% MMEPEG 5000, 0.2M ammonium chloride, 0.1M MES pH 6.5