3OPB

Crystal structure of She4p

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	84.022, 149.937, 158.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.000 - 2.900
R-factor	0.32
Rwork	0.231
R-free	0.29600
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.381
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.063	0.790
Number of reflections	45409
Completeness [%]	95.6
Redundancy		6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	285	200 mM Na citrate, 20% (w/v) PEG 3350, 10 mM DTT, pH 6.5, EVAPORATION, temperature 285K
1	EVAPORATION	6.5	285	200 mM Na citrate, 20% (w/v) PEG 3350, 10 mM DTT, pH 6.5, EVAPORATION, temperature 285K