8PIN

Crystal structure of Ser33

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	98.160, 148.520, 161.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.780 - 3.190
R-factor	0.2321
Rwork	0.229
R-free	0.28370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yba
RMSD bond length	0.010
RMSD bond angle	1.266
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.780	3.304
High resolution limit [Å]	3.190	3.190
Number of reflections	40049	3922
<I/σ(I)>	25.22
Completeness [%]	99.8
Redundancy	6.6
CC(1/2)	1.000	0.829

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M Porassium sodium tartrate tetrahydrate, 20%w/v PEG3350 7.4 mg/ml of protein in 25 mM Tris pH=7.5 and 150 mM NaCl