4PKB

CRYSTAL STRUCTURE OF PATATIN-17 COMPLEXED WITH METHYL ARACHIDONYL FLUOROPHOSPHONATE (MAFP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	93.15
Detector technology	CCD
Collection date	2008-03-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 43 21 2
Unit cell lengths	53.240, 53.240, 245.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.257 - 2.090
R-factor	0.178
Rwork	0.176
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	0.970
Phasing software	PHASER
Refinement software	BUSTER (2.8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.257	2.160
High resolution limit [Å]	2.090	2.090
Number of reflections	21776
<I/σ(I)>	20
Completeness [%]	99.0	99.7
Redundancy	4.6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	4.6	294.15	0.1 M SODIUM ACETATE, 49% V/V PEG400, 225 MM CESIUM CHLORIDE, PH 4.6, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 294.15 K