3SAS

MUTM Slanted complex 4 with R112A mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	45.393, 96.029, 103.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.990 - 2.050
R-factor	0.182
Rwork	0.180
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gpx
RMSD bond length	0.007
RMSD bond angle	1.117
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.098	0.546
Number of reflections	29147
<I/σ(I)>	8.7
Completeness [%]	100.0	100
Redundancy	7.5	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	283	PEG 8K, SODIUM CACODYLATE, GLYCEROL, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 283K