1EH8

BENZYLATED HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-01-25
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	71.598, 71.598, 76.038
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.950 - 2.500
R-factor	0.194 *
Rwork	0.194
R-free	0.23000
Starting model (for MR)	PDB 1EH6
RMSD bond length	0.009
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.106	0.444
Total number of observations	17635 *
Number of reflections	8007
<I/σ(I)>	8.9409	1.927
Completeness [%]	98.9	98.7
Redundancy	2.023	2.221

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	25 *	18 MG/ML PROTEIN, 1.5 M SUCROSE, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	18 (mg/ml)
2	1	reservoir	sucrose	1.5 (M)