1M68

YCDX PROTEIN, TRINUCLEAR ZINC SITE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-02
Detector	MARRESEARCH
Wavelength(s)	0.9795
Spacegroup name	P 3 2 1
Unit cell lengths	77.350, 77.350, 80.050
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.16505
Rwork	0.162
R-free	0.22500 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1m65
RMSD bond length	0.017
RMSD bond angle	1.600 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.041	0.102
Number of reflections	12596
<I/σ(I)>	33.7	12.8
Completeness [%]	99.2	89.8
Redundancy	8.5	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.1 M Tris, 60% AS, 5 mM Zinc Acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	Tris	0.1 (M)	pH8.5
2	1	reservoir	ammonium sulfate	60 (%)
3	1	reservoir	MPD	3 (%)