5I7K

Crystal Structure of Human SPLUNC1 Dolphin Mutant D1 (G58A, S61A, G62E, G63D, G66D, I67T)

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	2015-04-23
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	C 2 2 21
Unit cell lengths	48.027, 204.927, 118.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.600 - 2.552
R-factor	0.2184
Rwork	0.212
R-free	0.27440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kgh
RMSD bond length	0.009
RMSD bond angle	1.504
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	2.644
High resolution limit [Å]	2.552	2.552
Rmerge	0.057	0.657
Number of reflections	19300
<I/σ(I)>	13.8	2.11
Completeness [%]	98.7	89.42
Redundancy	3.5	3.2
CC(1/2)	0.998

Crystallization Conditions

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