4RGH

Human DNA Damage-Inducible Protein: From Protein Chemistry and 3D Structure to Deciphering its Cellular Role

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Detector technology	CCD
Collection date	2010-10-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.91573
Spacegroup name	P 21 21 2
Unit cell lengths	66.870, 86.400, 52.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.440 - 1.900
R-factor	0.2098
Rwork	0.208
R-free	0.25570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.745
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.090	26.441	2.000
High resolution limit [Å]	1.900	6.010	1.900
Rmerge		0.039	0.326
Total number of observations		3619	11475
Number of reflections	21413
<I/σ(I)>	9.5	12.2	2.2
Completeness [%]	87.2	98.7	69.7
Redundancy	4.6	4.2	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	292.15	0.2M amonium acetate, 0.1M Bis-Tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 292.15K