1LSO

Crystal Structure of the S137A mutant of L-3-Hydroxyacyl-CoA Dehydrogenase in Complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-07-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.361, 86.452, 167.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.190 - 2.600
R-factor	0.221
Rwork	0.220
R-free	0.28500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3had
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	Crystal (Clear / d*trek)
Data scaling software	CrystalClear (D*TREK (MSC/RIGAKU))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.190	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.071	0.272
Number of reflections	23099
<I/σ(I)>	14.8	6.1
Completeness [%]	98.9	99.6
Redundancy	3.83	3.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	50 mM N-[2-ACETAMIDO]-2-IMINODIACETIC ACID WITHIN THE PRECIPITANT RANGE OF 14% TO 19% POLYETHYLENE GLYCOL 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K