3N4U

app APH(2")-IVa form II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	46.380, 62.590, 96.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.610 - 2.200
R-factor	0.183
Rwork	0.178
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.042
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.610	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.067	0.376
Number of reflections	16313
<I/σ(I)>	13.8	2.3
Completeness [%]	96.0	81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1