5CZY

Crystal structure of LegAS4

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	2014-05-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9796
Spacegroup name	P 31 2 1
Unit cell lengths	69.249, 69.249, 200.497
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.832 - 2.200
R-factor	0.2046
Rwork	0.202
R-free	0.24760
Starting model (for MR)	SAD
RMSD bond length	0.010
RMSD bond angle	1.122
Data scaling software	XSCALE
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	66.832		2.330
High resolution limit [Å]	2.200	6.570	2.200
Rmerge	0.069	0.041	0.548
Rmeas	0.071	0.042	0.590
Total number of observations	490905
Number of reflections	28465	1233	4013
<I/σ(I)>	29.36	65.78	3.29
Completeness [%]	97.3	99.6	86.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1M sodium citrate, 15 % (v/v) isopropanol, 10%(w/v) PEG 10000