4F6A

High-resolution x-ray Structure of the tetramutant of BH1408 protein from Bacillus halodurans, Northeast Structural Genomics Consortium (NESG) Target BhR182

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-05
Detector	MAR CCD 165 mm
Wavelength(s)	0.97907
Spacegroup name	P 31 2 1
Unit cell lengths	86.842, 86.842, 163.818
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.174 - 2.009
R-factor	0.1928
Rwork	0.191
R-free	0.21970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4e0a
RMSD bond length	0.008
RMSD bond angle	1.002
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]	2.000
Rmerge	0.072
Number of reflections	46521
<I/σ(I)>	33.1
Completeness [%]	92.6
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5) . Reservoir solution: 0.1M KSCN, 0.1M TAPS, 20% PEG 4K, VAPOR DIFFUSION, HANGING DROP, temperature 277K