2W98

CRYSTAL STRUCTURE OF HUMAN ZINC-BINDING ALCOHOL DEHYDROGENASE 1 (ZADH1) IN TERNARY COMPLEX WITH NADP AND PHENYLBUTAZONE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-27
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	141.014, 82.793, 69.097
Unit cell angles	90.00, 99.77, 90.00

Refinement procedure

Resolution	53.400 - 1.850
R-factor	0.159
Rwork	0.158
R-free	0.18800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vna
RMSD bond length	0.012
RMSD bond angle	1.591
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0055)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.370	1.950
High resolution limit [Å]	1.850	1.850
Rmerge	0.050	0.160
Number of reflections	66348
<I/σ(I)>	13.6	5.2
Completeness [%]	99.2	95.5
Redundancy	2.9	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				2.1M NA(MALATE)