6BSC

Crystal structure of the Mucin-1 SEA domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9184
Spacegroup name	P 31 2 1
Unit cell lengths	43.880, 43.880, 82.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.360 - 1.303
R-factor	0.1576
Rwork	0.156
R-free	0.18390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.825
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_2456)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.320
High resolution limit [Å]	1.300	3.530	1.300
Rmerge	0.055	0.043	0.322
Rmeas	0.058	0.045	0.359
Rpim	0.017	0.014	0.153
Number of reflections	23181	1198	1098
<I/σ(I)>	15.4
Completeness [%]	99.3	92.4	95.6
Redundancy	10.8	9.1	4.9
CC(1/2)		0.999	0.917

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	Drop was a 1:1 mix of protein (10 mg/ml in 10 mM Tris-Cl, pH 7.4) and reservoir solution (0.1 M sodium acetate trihydrate pH 4.6, 2.0 M sodium chloride)