3QVZ

Crystal structure of the Zn-RIDC1 complex stabilized by BMOE crosslinks cocrystallized in the presence of Cu(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.265
Spacegroup name	P 61
Unit cell lengths	52.525, 52.525, 255.717
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.860 - 2.640
R-factor	0.264
Rwork	0.261
R-free	0.30560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.730
Data reduction software	DENZO
Data scaling software	SCALA (3.3.6)
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.488	51.143	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.056	0.545
Total number of observations		8511	32586
Number of reflections	13499
<I/σ(I)>	13.8	8.2	1.3
Completeness [%]	97.9	98.7	97
Redundancy	15.8	18.4	16.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	100 mM HEPES, 12% PEG 3350, 2.46 mM copper sulfate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K