4Y1F

SAV1875-E17D

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	2014-04-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 21 21 2
Unit cell lengths	81.313, 94.150, 42.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.310 - 1.800
R-factor	0.19549
Rwork	0.194
R-free	0.22444
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4y0n
RMSD bond length	0.009
RMSD bond angle	1.330
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	0.068	0.056	0.163
Rmeas	0.075	0.063	0.174
Rpim	0.030	0.026	0.061
Total number of observations	221449
Number of reflections	30762
<I/σ(I)>	26.8
Completeness [%]	99.3	90.4	100
Redundancy	7.2	5.8	8.2
CC(1/2)		0.994	0.988

Crystallization Conditions

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