1KRP

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 X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-06
Detector	MARRESEARCH
Spacegroup name	P 43
Unit cell lengths	101.600, 101.600, 85.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.19 *
Rwork	0.190
R-free	0.25500
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 *	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.050 *	0.390 *
Total number of observations	205300 *
Number of reflections	36367 *
<I/σ(I)>	22.2	3.4
Completeness [%]	93.5	89.5
Redundancy		2.5

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)