5Y21

Crystal structure of AL2 PAL domain in complex with AtRing1a proximal site

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	2013-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97907
Spacegroup name	P 1 21 1
Unit cell lengths	46.114, 70.563, 55.324
Unit cell angles	90.00, 112.78, 90.00

Refinement procedure

Resolution	27.791 - 1.769
R-factor	0.1638
Rwork	0.162
R-free	0.19290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xvl
RMSD bond length	0.005
RMSD bond angle	0.746
Data reduction software	HKL-2000
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.769	1.770
Rmerge		0.154
Number of reflections	31734	3179
<I/σ(I)>	35.4	14.4
Completeness [%]	99.3	100
Redundancy	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	25% PEG2000 MME, 0.1 M Tris, pH 7.5