4OS0

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-30
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	41.622, 45.870, 48.260
Unit cell angles	69.40, 77.67, 65.32

Refinement procedure

Resolution	45.036 - 1.750
R-factor	0.1978
Rwork	0.196
R-free	0.23280
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.004
RMSD bond angle	0.944
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]	45.040	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.067	0.352
Number of reflections	29286
<I/σ(I)>	10	3.4
Completeness [%]	95.9	95
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	02.M Na/K Tartrate, 0.1M Na acetate, 2.0M Ammonium sulphate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K