4JE9

Crystal structure of an engineered metal-free RIDC1 construct with four interfacial disulfide bonds

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-22
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	56.166, 87.788, 96.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.020 - 2.120
R-factor	0.234
Rwork	0.229
R-free	0.30200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iq6
RMSD bond length	0.020
RMSD bond angle	1.877
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.023	2.240
High resolution limit [Å]	2.120	2.120
Rmerge		0.499
Number of reflections	13444
<I/σ(I)>	17.6	1.5
Completeness [%]	97.5	84.4
Redundancy	5.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	293	30% methyl-pentanediol, 0.1M Tris pH 8.5, 0.2M sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K