5XVJ

Crystal structure of AL7 PAL domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-04
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 31
Unit cell lengths	52.880, 52.880, 69.725
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.277 - 1.400
R-factor	0.1725
Rwork	0.171
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.232
Data reduction software	HKL-3000
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.101	0.213
Number of reflections	42939	4268
<I/σ(I)>	22.4	11.7
Completeness [%]	100.0	100
Redundancy	10	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	289	0.2 M lithium sulfate, 0.1 M sodium phosphate/ Citric acid, pH 4.2, 20% (w/v) PEG 1000