1FJJ

CRYSTAL STRUCTURE OF E.COLI YBHB PROTEIN, A NEW MEMBER OF THE MAMMALIAN PEBP FAMILY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-23
Detector	MARRESEARCH
Spacegroup name	P 32 2 1
Unit cell lengths	85.470, 85.470, 73.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 1.660
R-factor	0.18 *
Rwork	0.180
R-free	0.19681
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	0.026
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.750
High resolution limit [Å]	1.660	1.660
Rmerge	0.045 *	0.440 *
Total number of observations	165834 *
Number of reflections	35266 *
<I/σ(I)>	13.6	1.7
Completeness [%]	96.2	76.3
Redundancy	4.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	298	Sodium citrate, Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	HEPES	10 (mM)
3	1	drop	dithiothreitol	2 (mM)
4	1	reservoir	trisodium citrate dihydrate	1.25-1.40 (M)
5	1	reservoir	HEPES	0.1 (M)