5C9E

SepL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.92023
Spacegroup name	P 43 21 2
Unit cell lengths	84.320, 84.320, 238.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	79.510 - 3.210
R-factor	0.2127
Rwork	0.210
R-free	0.25620
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	xia2
Data scaling software	Aimless (0.3.5)
Phasing software	PHASER
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.320	84.320	3.430
High resolution limit [Å]	3.210	9.080	3.210
Rmerge	0.118	0.029	0.818
Rpim	0.028	0.007	0.191
Total number of observations	275631	12134	50201
Number of reflections	14926
<I/σ(I)>	23.1	77.7	4.7
Completeness [%]	100.0	100	100
Redundancy	18.5	15.3	19.2
CC(1/2)	1.000	1.000	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293	0.1M SPG buffer pH 6, 25% PEG 1500, 3M NaCl additive