1WYW

Crystal Structure of SUMO1-conjugated thymine DNA glycosylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Collection date	2004-10-02
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	42.212, 70.420, 106.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.205 *
Rwork	0.205
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mug 1euv
RMSD bond length	0.005
RMSD bond angle	22.410 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.087	0.350 *
Number of reflections	19228
<I/σ(I)>	8	2.5
Completeness [%]	100.0	100
Redundancy	19	19.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *	20 *	25% PEG3350, 0.1M Tris, 0.2M Magnesium Chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	HEPES	25 (mM)
2	1	1		150 (mM)
3	1	1	dithiothreitol	1 (mM)
4	1	1	protein	20 (mg/ml)
5	1	2	PEG3350	25 (%)
6	1	2		0.2 (M)
7	1	2	Tris-HCl	0.1 (M)