5YWZ

AID-SUN tandem of SUN1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	73.636, 73.636, 97.456
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.442 - 2.200
R-factor	0.1829
Rwork	0.181
R-free	0.22230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ed8
RMSD bond length	0.010
RMSD bond angle	1.105
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.099	0.033	0.707
Rmeas	0.104	0.035	0.744
Rpim	0.033	0.011	0.231
Number of reflections	18348	1953	1779
<I/σ(I)>	7
Completeness [%]	99.9	99.4	100
Redundancy	10.1	9.6	10.3
CC(1/2)		0.999	0.964

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M MES pH 6.3, 0.6M MgSO4