1K82

Crystal structure of E.coli formamidopyrimidine-DNA glycosylase (Fpg) covalently trapped with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-29
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1000
Spacegroup name	P 1 21 1
Unit cell lengths	80.704, 96.033, 96.228
Unit cell angles	90.00, 96.80, 90.00

Refinement procedure

Resolution	34.000 - 2.100
Rwork	0.214
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1EE8 AND PDB ENTRY 1K3W
RMSD bond length	0.010 *
RMSD bond angle	1.990 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	GLRF
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.069 *	0.265 *
Total number of observations	310926 *
Number of reflections	84396
<I/σ(I)>	11.8
Completeness [%]	99.6	99.7
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5	15 *	PEG 8000, Ammonium Sulfate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 8000
2	1	1	Ammonium Sulfate
3	1	1	cacodylate

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)
2	1	drop		5 (mM)
3	1	drop		460 (mM)
5	1	drop	protein	1.8-2.0 (mg/ml)
6	1	reservoir	PEG8000	30 (%(w/v))
7	1	reservoir	ammonium sulfate	0.2 (M)
8	1	reservoir	sodium cacodylate	0.1 (M)	pH6.5