6N20

Structure of L509V CAO1 - growth condition 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-02-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979339
Spacegroup name	P 32 2 1
Unit cell lengths	99.550, 99.550, 447.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.470 - 1.950
R-factor	0.18816
Rwork	0.187
R-free	0.20474
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5u8x
RMSD bond length	0.007
RMSD bond angle	1.349
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	1.950	1.950
Rmerge	0.161	2.900
Number of reflections	188611	30515
<I/σ(I)>	12.7	1.4
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.999	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	281	100 mM imidazole/MES pH 6.5 30 mM MgCl2 30 mM CaCl2 10% PEG 20,000 20% PEG MME 550