1PQW

Putative enoyl reductase domain of polyketide synthase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97917, 0.97942, 0.96864
Spacegroup name	P 21 21 21
Unit cell lengths	69.830, 78.391, 81.604
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.970 - 2.660
Rwork	0.197
R-free	0.22800
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.970	2.740
High resolution limit [Å]	2.660	2.650
Rmerge	0.076	0.160
<I/σ(I)>	25.8	15
Completeness [%]	98.9	99.7
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	PEG 4000, isopropanol calcium chloride, Tris, NADPH , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K