1LSJ

Crystal Structure of the E110Q 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	2001-06-29
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.020, 85.950, 168.505
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.700 - 2.500
R-factor	0.211
Rwork	0.210
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3had
RMSD bond length	0.007
RMSD bond angle	1.300
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]	28.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.079	0.231
Number of reflections	25717
<I/σ(I)>	13.8	7.2
Completeness [%]	99.0	99.6
Redundancy	4.77	4.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING 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, SITTING DROP, temperature 291K