4JEB

Crystal structure of an engineered RIDC1 tetramer with four interfacial disulfide bonds and four three-coordinate Zn(II) sites

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	2012-07-30
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.98
Spacegroup name	P 31 1 2
Unit cell lengths	54.942, 54.942, 145.658
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.550 - 2.300
R-factor	0.2479
Rwork	0.244
R-free	0.30880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3iq6
RMSD bond length	0.019
RMSD bond angle	1.560
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.553	36.415	2.280
High resolution limit [Å]	2.158	6.830	2.160
Rmerge		0.065	0.692
Total number of observations		2243	7597
Number of reflections	13468
<I/σ(I)>	6.5	9.5	1.1
Completeness [%]	96.9	97.7	84.9
Redundancy	5.2	4.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	35% methyl-pentandiol, 0.1M HEPES pH 7.5, 0.2M NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 293K