2IM8

X-Ray Crystal Structure of Protein yppE from Bacillus subtilis. Northeast Structural Genomics Consortium Target SR213.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-24
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97934, 0.97956, 0.96806
Spacegroup name	P 21 21 21
Unit cell lengths	44.735, 70.830, 76.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.290 - 2.000
R-factor	0.236
Rwork	0.236
R-free	0.25700
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.075	0.334
Number of reflections	30962
<I/σ(I)>	29.2	7.5
Completeness [%]	97.7	93.4
Redundancy	33.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.8M KH2PO4, 0.8M NaH2PO4, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K