1QY9

Crystal structure of E. coli Se-MET protein YDDE

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2002-03-11
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	80.035, 56.529, 148.742
Unit cell angles	90.00, 101.67, 90.00

Refinement procedure

Resolution	20.000 - 2.050
R-factor	0.17203
Rwork	0.171
R-free	0.20672
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.066	0.364
Number of reflections	80627
<I/σ(I)>	7.3	1.7
Completeness [%]	99.7	100
Redundancy	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	12% MPEG 5000, 0.2 M SODIUM ACETATE, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K