1VL0

CRYSTAL STRUCTURE OF A DTDP-4-DEHYDRORHAMNOSE REDUCTASE, RFBD ORTHOLOG (CA_C2315) FROM CLOSTRIDIUM ACETOBUTYLICUM ATCC 824 AT 2.05 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-10
Detector	ADSC
Spacegroup name	C 2 2 21
Unit cell lengths	106.800, 130.670, 151.050
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.990 - 2.050
R-factor	0.17072
Rwork	0.169
R-free	0.20701
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.529
Data reduction software	MOSFLM
Data scaling software	SCALA ((CCP4 4.2))
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.990	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.076	0.572
Number of reflections	66292
<I/σ(I)>	12.5	2.3
Completeness [%]	99.9	100
Redundancy	4.9	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	0.06M MES, 0.04M MES_Na, 2% NP_PEG MME 2000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	0.06M MES, 0.04M MES_Na, 2% NP_PEG MME 2000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	0.06M MES, 0.04M MES_Na, 2% NP_PEG MME 2000 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K