4OS8

Three-dimensional structure of the C65A-W54F-W112F triple mutant of Human lipocalin-type Prostaglandin D Synthase apo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.87
Spacegroup name	P 1
Unit cell lengths	42.510, 46.620, 47.890
Unit cell angles	69.14, 77.10, 64.81

Refinement procedure

Resolution	33.730 - 1.690
R-factor	0.1963
Rwork	0.194
R-free	0.23240
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.903
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.730	1.780
High resolution limit [Å]	1.690	1.690
Rmerge	0.090	0.205
Number of reflections	33458
<I/σ(I)>	9.6
Completeness [%]	96.3	94.8
Redundancy	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1M Na Acetate, 2.0M Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K