4Y1G

SAV1875-E17N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 21 21 2
Unit cell lengths	82.353, 95.647, 41.569
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.600 - 1.900
R-factor	0.18901
Rwork	0.188
R-free	0.21642
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y0n
RMSD bond length	0.007
RMSD bond angle	1.178
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	1.930
High resolution limit [Å]	1.900	5.150	1.900
Rmerge	0.087	0.052	0.418
Rmeas	0.093	0.056	0.440
Rpim	0.030	0.019	0.136
Total number of observations	251442
Number of reflections	26532
<I/σ(I)>	15.9
Completeness [%]	99.8	97.4	100
Redundancy	9.5	8.2	10.2
CC(1/2)		0.996	0.965

Crystallization Conditions

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