1FUX

CRYSTAL STRUCTURE OF E.COLI YBCL, 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 1 21 1
Unit cell lengths	49.425, 55.531, 60.152
Unit cell angles	90.00, 105.39, 90.00

Refinement procedure

Resolution	25.000 - 1.810
R-factor	0.199 *
Rwork	0.200
R-free	0.25423
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1FJJ E.COLI YBHB
RMSD bond length	0.014
RMSD bond angle	0.035
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.910
High resolution limit [Å]	1.810	1.810
Rmerge	0.030 *	0.088 *
Total number of observations	96044 *
Number of reflections	28148 *
<I/σ(I)>	16.1	7.8
Completeness [%]	97.5	89.4
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7 *	298	PEG 6000, Hepes, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)
2	1	drop	dithiothreitol	1 (mM)
3	1	drop	protein	7.5 (mg/ml)
4	1	reservoir	PEG6000	20-24 (%(w/v))
5	1	reservoir	HEPES	0.1 (M)