3N0U

Crystal structure of Tm1821, the 8-oxoguanine DNA glycosylase of Thermotoga maritima

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	54.871, 93.635, 135.895
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.848 - 1.500
R-factor	0.152
Rwork	0.150
R-free	0.19000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.144
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PHENIX (1.6.1_357)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.049	0.046	0.511
Number of reflections	111883
<I/σ(I)>	13.1
Completeness [%]	99.5	95	96.2
Redundancy	4.3	4.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	Crystallization drop was 1:1 mixture of protein and 1M lithium chloride, 0.1M tri-sodium citrate, and 20% (w/v) PEG 6000. The crystallization reservoir was 1.5 M NaCl. The crystal was cryo-protected with LV Cryo Oil., pH 4, VAPOR DIFFUSION, HANGING DROP, temperature 298K