4L7E

Three dimensional structure of mutant D78A of human HD domain-containing protein 2, Genomics Consortium (NESG) Target HR6723

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	65.762, 68.886, 106.154
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.567 - 2.229
R-factor	0.1758
Rwork	0.174
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dmb
RMSD bond length	0.007
RMSD bond angle	1.077
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (dev_1269)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.092
Number of reflections	24213
Completeness [%]	99.9
Redundancy	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	5	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution:0.1M LiCl, 0.1M sodium acetate, 40% PEG1000, microbatch under oil, temperature 277K