3D48

Crystal structure of a prolactin receptor antagonist bound to the extracellular domain of the prolactin receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 65
Unit cell lengths	125.350, 125.350, 69.820
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.221
Rwork	0.218
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FOR THE R CHAIN PDB ENTRY 1BP3. FOR THE P CHAIN A CORE OF A MODELER HOMOLOGY MODEL BASED ON PDB ENTRIES 1BP3 1f6f 1RW5 AND 1N9D.
RMSD bond length	0.020
RMSD bond angle	2.013
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (refmac_5.4.0066)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	21797
<I/σ(I)>	22.46	5.5
Completeness [%]	99.8	100
Redundancy	11.2	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	297	3.5M Sodium Chloride, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K