1HUV

CRYSTAL STRUCTURE OF A SOLUBLE MUTANT OF THE MEMBRANE-ASSOCIATED (S)-MANDELATE DEHYDROGENASE FROM PSEUDOMONAS PUTIDA AT 2.15A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	I 4
Unit cell lengths	99.590, 99.590, 87.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.420 - 2.150
R-factor	0.175
Rwork	0.175
R-free	0.21200
Structure solution method	MOLECULAR REPLACEMENT + SIR
Starting model (for MR)	1gox
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	30.000
High resolution limit [Å]	2.150	2.150
Rmerge	0.092 *	0.362 *
Number of reflections	28143
<I/σ(I)>	21.7	6.3
Completeness [%]	98.4	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	291	MES, ammonium sulfate, ethylene glycerol, FMN, NaCl, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
2	1	drop	MES	0.2 (M)
3	1	drop	ammonium sulfate	0.75 (%)
4	1	drop	ethylene glycol	10 (%)
5	1	drop	FMN	0.020 (mM)
6	1	reservoir		4.0 (M)	1ml