1S7M

Crystal Structure of HiaBD1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-30
Detector	CUSTOM-MADE
Wavelength(s)	0.99187
Spacegroup name	P 1 21 1
Unit cell lengths	83.582, 86.204, 89.119
Unit cell angles	90.00, 99.08, 90.00

Refinement procedure

Resolution	44.000 - 2.100
R-factor	0.217
Rwork	0.217
R-free	0.25400
Structure solution method	Initial phasing: MAD of two Met sites introduced protein crystal, then Molecular replacement on native crystal
Starting model (for MR)	SeMetHiaBD1(HiaBD1 variant genrated for Se MAD phasing)
RMSD bond length	0.009
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	72387
<I/σ(I)>	25.05
Completeness [%]	99.2	99.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG 4000, magnesium chloride, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K