4IWY

SeMet-substituted RimK structure

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Detector technology	CCD
Collection date	2012-07-30
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97921, 0.97934, 0.97471
Spacegroup name	P 64 2 2
Unit cell lengths	129.030, 129.030, 171.238
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.558 - 2.900
R-factor	0.2072
Rwork	0.205
R-free	0.25270
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.589
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELXS
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.126	0.053	0.803
Number of reflections	18059
<I/σ(I)>	8.2
Completeness [%]	93.4	97.8	53.5
Redundancy	15.6	15.6	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	100 mM HEPES, and 1.8 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 291K, pH 7.5