4NE7

Crystal Structure of engineered Kumamolisin-As from Alicyclobacillus sendaiensis, Northeast Structural Genomics Consortium (NESG) Target OR367

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-17
Detector	MAR CCD 165 mm
Wavelength(s)	0.97907
Spacegroup name	P 32 2 1
Unit cell lengths	110.885, 110.885, 75.992
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.789 - 2.497
R-factor	0.202
Rwork	0.198
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1sn7
RMSD bond length	0.003
RMSD bond angle	0.787
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.091	0.275
Number of reflections	19077
<I/σ(I)>	24.83	9.29
Completeness [%]	100.0	100
Redundancy	11.2	11.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	Protein solution - 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution - 15% PEG 8000, 0.1 M MES pH 6.0, 0.2 M Zinc Acetate, VAPOR DIFFUSION, HANGING DROP, temperature 277K