5LYY

Fragment-based inhibitors of Lipoprotein associated Phospholipase A2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-09-17
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	99.924, 91.157, 51.333
Unit cell angles	90.00, 111.88, 90.00

Refinement procedure

Resolution	34.380 - 2.170
R-factor	0.17971
Rwork	0.177
R-free	0.22523
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	1.432
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC (5.8.0135)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.380	2.310
High resolution limit [Å]	2.170	2.170
Rmerge	0.062	0.459
Number of reflections	22495
<I/σ(I)>	10.3	1.9
Completeness [%]	98.2	99.7
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	28.0%w/v PEG 3350, 0.1M HEPES/NaOHpH=7.4, 1.3M NaCl