4Y1E

SAV1875-C105D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-22
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97960
Spacegroup name	P 21 21 2
Unit cell lengths	82.055, 93.946, 42.843
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.650 - 1.800
R-factor	0.18627
Rwork	0.185
R-free	0.21765
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAV1875
RMSD bond length	0.009
RMSD bond angle	1.320
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.085	0.045	0.395
Rmeas	0.088	0.047	0.410
Rpim	0.024	0.013	0.109
Total number of observations	422814
Number of reflections	31130
<I/σ(I)>	14.9
Completeness [%]	99.0	97.1	98.2
Redundancy	13.6	13.1	13.9
CC(1/2)		0.999	0.966

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	PPG400, Bis-Tris