4FJ4

Crystal structure of the protein Q9HRE7 complexed with mercury from Halobacterium salinarium at the resolution 2.1A, Northeast Structural Genomics Consortium target HsR50

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	2008-08-06
Detector	ADSC QUANTUM 4
Wavelength(s)	1.006
Spacegroup name	P 21 21 21
Unit cell lengths	44.812, 85.107, 113.485
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.844 - 2.100
R-factor	0.202
Rwork	0.199
R-free	0.25580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dlh
RMSD bond length	0.008
RMSD bond angle	1.142
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX (dev_988)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Rmerge	0.098
Number of reflections	46656
<I/σ(I)>	15.5
Completeness [%]	95.3
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil		293	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: KH2PO4 0.1M, HEPES 0.1M, PEG 8000 40%, microbatch under oil, temperature 293K