2KZM

KLENOW FRAGMENT WITH NORMAL SUBSTRATE AND ZINC AND MANGANESE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-06-15
Detector	ADSC
Spacegroup name	P 43
Unit cell lengths	102.600, 102.600, 86.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.195
Rwork	0.195
R-free	0.24200 *
Structure solution method	RIGID-BODY REFINEMENT
RMSD bond length	0.011 *
RMSD bond angle	1.600 *
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]	20.000	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.055 *	0.211 *
Number of reflections	22445 *
<I/σ(I)>	17.3	5.2
Completeness [%]	89.1 *	73.9
Redundancy	3.2	3

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)