1KFS

DNA POLYMERASE I KLENOW FRAGMENT (E.C.2.7.7.7) MUTANT/DNA COMPLEX

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
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	101.700, 101.700, 85.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.195 *
Rwork	0.195
R-free	0.21900
Structure solution method	RIGID-BODY REFINEMENT
Starting model (for MR)	IN-HOUSE HIGH-RESOLUTION STRUCTURE
RMSD bond length	0.012
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.055 *
Total number of observations	289824 *
Number of reflections	77876 *
<I/σ(I)>	13.8	2.2
Completeness [%]	89.1	94.4
Redundancy		2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	18 *	Brick, P., (1983) J. Mol. Biol., 166, 453. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium citrate	1.1-1.2 (M)
2	1	drop	PIPES	20 (mM)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop		0.02 (%)
5	1	drop	protain	10 (mg/ml)