8PIS

Crystal structure of Ser33 in complex with L-Serine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9999
Spacegroup name	P 1
Unit cell lengths	106.115, 110.735, 117.027
Unit cell angles	64.42, 65.95, 67.03

Refinement procedure

Resolution	43.110 - 2.690
R-factor	0.2184
Rwork	0.216
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.031
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.110	2.787
High resolution limit [Å]	2.690	2.691
Number of reflections	114590	10826
<I/σ(I)>	9.57	1.9
Completeness [%]	97.0
Redundancy	4.3
CC(1/2)	0.988	0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M sodium citrate tribasic 0.1 M Bis-Tris propane pH 8.5 20% w/v PEG 3350 7.4 mg/ml of protein in 25 mM Tris pH=7.5 and 150 mM NaCl