5I7J

Crystal Structure of Human SPLUNC1 Disulfide Mutant M3 (I76C, V214C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-BM-B
Synchrotron site	APS
Beamline	23-BM-B
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	C 2 2 21
Unit cell lengths	47.778, 206.163, 117.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.283 - 2.544
R-factor	0.2062
Rwork	0.200
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kgh
RMSD bond length	0.010
RMSD bond angle	1.484
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.283	2.634
High resolution limit [Å]	2.544	2.544
Rmerge	0.055	0.706
Number of reflections	19395
<I/σ(I)>	14.54
Completeness [%]	98.7	94.45
Redundancy	3.5	3.4
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	310	6M Ammonium Nitrate, 0.1M Tris-HCL, pH 8.5