5JZB

Crystal structure of HsaD bound to 3,5-dichlorobenzene sulphonamide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-02-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97630
Spacegroup name	I 21 21 21
Unit cell lengths	82.030, 82.330, 194.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.895 - 2.102
R-factor	0.207
Rwork	0.205
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.277
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.900	2.100
High resolution limit [Å]	2.100
Rmerge	0.134	0.469
Number of reflections	38700
<I/σ(I)>	8	2.6
Completeness [%]	100.0	100
Redundancy	6.3	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9.5	298	24% (w/v) PEG-3000, 0.1M CHES pH 9.5