4F40

X-ray crystal structure of Apo prostaglandin f synthase from Leishmania major Friedlin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.977408
Spacegroup name	P 1 21 1
Unit cell lengths	94.550, 34.590, 107.200
Unit cell angles	90.00, 103.22, 90.00

Refinement procedure

Resolution	46.190 - 1.600
R-factor	0.1551
Rwork	0.154
R-free	0.18020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vbj
RMSD bond length	0.014
RMSD bond angle	1.540
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_1048)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.083	0.022	0.578
Number of reflections	89147	1107	5975
<I/σ(I)>	13.33	34.43	2.37
Completeness [%]	98.7	98.6	90.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	0.1 M sodium citrate, pH 5.50, 20% PEG3000, VAPOR DIFFUSION, SITTING DROP, temperature 289K