3NCB

A mutant human Prolactin receptor antagonist H180A in complex with the extracellular domain 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	124.210, 124.210, 71.556
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.060 - 2.100
R-factor	0.1881
Rwork	0.186
R-free	0.23743
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mzg
RMSD bond length	0.026
RMSD bond angle	2.139
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]	33.000	33.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.090	0.056	0.644
Number of reflections	46104
<I/σ(I)>	11.4
Completeness [%]	99.7	99.2	98.2
Redundancy	10.8	10.3	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	3.7M NaCl, 0.1 M Hepes 7.5, 6% PEG monomethylether 550, VAPOR DIFFUSION, HANGING DROP, temperature 291K