3HWR

Crystal structure of PanE/ApbA family ketopantoate reductase (YP_299159.1) from Ralstonia eutropha JMP134 at 2.15 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-28
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837
Spacegroup name	P 61
Unit cell lengths	116.210, 116.210, 95.604
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.761 - 2.150
R-factor	0.186
Rwork	0.183
R-free	0.22600
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.781
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.761	29.760	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge	0.111	0.059	0.719
Total number of observations		1452	10975
Number of reflections	39885
<I/σ(I)>	4.124	10	1
Completeness [%]	99.9	91.3	100
Redundancy	3.7	3.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.71	277	26.2000% polyethylene glycol 6000, 0.1M Bicine pH 8.71, Additive: 0.001 M dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH), VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	8.71	277	26.2000% polyethylene glycol 6000, 0.1M Bicine pH 8.71, Additive: 0.001 M dihydro-nicotinamide-adenine-dinucleotide phosphate (NADPH), VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K