3NCF

A mutant human Prolactin receptor antagonist H30A in complex with the mutant extracellular domain H188A of the human prolactin receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 65
Unit cell lengths	123.252, 123.252, 73.108
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.990 - 2.800
R-factor	0.16039
Rwork	0.157
R-free	0.21946
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mzg
RMSD bond length	0.020
RMSD bond angle	1.890
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.164	0.082	0.767
Number of reflections	21573
<I/σ(I)>	7
Completeness [%]	97.8	95.7	97.6
Redundancy	7	7	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	3.6M NaCl, 0.1 M Hepes 7.5, 3% monomethylether 550, VAPOR DIFFUSION, HANGING DROP, temperature 291K