4Z2A

Crystal structure of unglycosylated apo human furin @1.89A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-10
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 1 2 1
Unit cell lengths	95.983, 66.597, 88.443
Unit cell angles	90.00, 122.41, 90.00

Refinement procedure

Resolution	29.581 - 1.890
R-factor	0.149
Rwork	0.148
R-free	0.18340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p8j
RMSD bond length	0.010
RMSD bond angle	1.260
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.890	4.070	1.890
Rmerge	0.049	0.027	0.148
Total number of observations	135597
Number of reflections	37707
<I/σ(I)>	13.7
Completeness [%]	99.8	99.7	98.8
Redundancy	3.6	3.7	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Well 13% PEG 8K, 0.110M K-dihydrogen phosphate, 0.1M HEPES pH 7.5, 350 uL protein with 350uL well drops, MRC sitting drop