1O89

Crystal structure of E. COLI K-12 yhdH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-08
Detector	ADSC CCD
Spacegroup name	P 43 2 2
Unit cell lengths	55.671, 55.671, 201.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	12.000 - 2.250
R-factor	0.20087
Rwork	0.197
R-free	0.23670 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	YHDH DETERMINED BY MAD
RMSD bond length	0.011 *
RMSD bond angle	1.160 *
Data reduction software	DENZO
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.049	0.450 *
Total number of observations	426724 *
Number of reflections	15944 *
<I/σ(I)>	11.7	1.8
Completeness [%]	99.1	99.7
Redundancy	8.6	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		39 % PEG 600, 0.1 M HEPES PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG600	39 (%)
2	1	drop	HEPES	0.1 (%(w/v)sat)	pH7.5
3	1	drop	protein	6 (mg/ml)
4	1	drop	NADP	5 (mM)
5	1	drop		0.1 (mM)
6	1	reservoir	PEG8000	8.5 (%)
7	1	reservoir	sodium acetate	0.1 (M)	pH5.5
8	1	reservoir		0.01 (mM)