5I7L

Crystal Structure of SPLUNC1 Disulfide Mutant M2 (A48C, V253C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-17
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03319
Spacegroup name	C 2 2 21
Unit cell lengths	47.083, 203.588, 120.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.842 - 2.598
R-factor	0.2262
Rwork	0.220
R-free	0.28370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kgh
RMSD bond length	0.009
RMSD bond angle	1.505
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.842	2.691
High resolution limit [Å]	2.598	2.598
Rmerge	0.062	0.580
Number of reflections	18284
<I/σ(I)>	21.33	4.34
Completeness [%]	99.6	96.67
Redundancy	5.1
CC(1/2)	0.999

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