4ORR

Threedimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase olo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 61 2 2
Unit cell lengths	60.777, 60.777, 178.766
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.771 - 1.400
R-factor	0.215
Rwork	0.214
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o2y
RMSD bond length	0.004
RMSD bond angle	1.012
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.480
High resolution limit [Å]	1.400	1.400
Rmerge		0.321
Number of reflections	39501
<I/σ(I)>		6.4
Completeness [%]	99.8	99.7
Redundancy		12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Tris, 25% PEG 4000, 2% Ethylene glycol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K