5IXB

Structure of human Melanoma Inhibitory Activity (MIA) Protein in complex with Pyrimidin-2-amine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97962
Spacegroup name	P 21 21 21
Unit cell lengths	47.440, 47.480, 87.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.745 - 1.390
R-factor	0.1337
Rwork	0.132
R-free	0.15980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i1j
RMSD bond length	0.010
RMSD bond angle	1.105
Data scaling software	XSCALE (VERSION July 4, 2012 BUILT=20130617)
Phasing software	MOLREP (Vers 11.2.05; 31.07.2013)
Refinement software	PHENIX (1.10-2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.430
High resolution limit [Å]	1.390	6.220	1.390
Rmerge	0.053	0.048	0.249
Number of reflections	40375
<I/σ(I)>	28.53	46.98	6.66
Completeness [%]	99.6	100	96.2
Redundancy	12
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	100 mM Tris/HCl, pH 8.2, 20% MPD, 8% PEG 8000