4ORX

Three-dimensional structure of the C65A-K59A double mutant of Human lipocalin-type Prostaglandin D Synthase holo-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 41
Unit cell lengths	90.970, 90.970, 36.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.581 - 1.600
R-factor	0.2002
Rwork	0.199
R-free	0.22610
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.922
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]	28.770	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.058	0.309
Number of reflections	39985
<I/σ(I)>	18.8	5.9
Completeness [%]	99.7	100
Redundancy	7.3	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30% PEG 4000, 0.2M Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K