3IA8

The structure of the C-terminal heme nitrobindin domain of THAP domain-containing protein 4 from Homo sapiens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	41.933, 74.694, 103.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.113 - 1.792
R-factor	0.167
Rwork	0.165
R-free	0.20100
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.449
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.840
High resolution limit [Å]	1.790	4.440	1.790
Rmerge	0.093	0.050	0.457
Number of reflections	29918
<I/σ(I)>	9.5
Completeness [%]	95.9	99.6	76.2
Redundancy	5.8	5.6	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	Protein Solution (10 mg/ml MSE protein, 0.05 M NaCl, 0.0003 M TCEP, 0.005 M HEPES pH 5) mixed in a 1:1 ratio with the Well Solution (55% Polypropylene glycol 400, 0.1 M Triethanolamine pH 7.5). Cryoprotected with 55% Polypropylene glycol 400, 0.1 M Triethanolamine pH 7.5, vapor diffusion, hanging drop, temperature 277K