3NCE

A mutant human Prolactin receptor antagonist H27A 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	2009-04-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 65
Unit cell lengths	123.283, 123.283, 72.489
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.950 - 2.000
R-factor	0.17928
Rwork	0.177
R-free	0.22676
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mzg
RMSD bond length	0.028
RMSD bond angle	2.228
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	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.096	0.066	0.880
Number of reflections	58185
<I/σ(I)>	10.2
Completeness [%]	99.9	99.5	100
Redundancy	11	10.5	10.7

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% PEG monomethylether 550, hanging drop, temperature 291K, VAPOR DIFFUSION, HANGING DROP