1EH6

HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-04-16
Detector	MARRESEARCH
Spacegroup name	P 31 2 1
Unit cell lengths	71.283, 71.283, 73.611
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.210 - 2.000
R-factor	0.197 *
Rwork	0.197
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.367
Total number of observations	48730 *
Number of reflections	14536
<I/σ(I)>	17.0985	3.105
Completeness [%]	97.0	96.7
Redundancy	3.298	3.03

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 298.0K

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)