2KZZ

KLENOW FRAGMENT WITH NORMAL SUBSTRATE AND ZINC ONLY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-02-15
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	101.700, 101.700, 85.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.202
Rwork	0.202
R-free	0.25000 *
Structure solution method	RIGID-BODY REFINEMENT
RMSD bond length	0.010
RMSD bond angle	23.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.290
High resolution limit [Å]	2.250	2.250
Rmerge	0.068 *	0.224 *
Total number of observations	173188 *
Number of reflections	29618 *
<I/σ(I)>	12.8	2.2
Completeness [%]	84.6	90.1
Redundancy	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	18 *	Brick, P., (1983) J. Mol. Biol., 166, 453. *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	SODIUM CITRATE
2	1	2	SODIUM CITRATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	1 (%)
2	1	drop	sodium citrate	1.1-1.2 (M)