8A9Q

Computational design of stable mammalian serum albumins for bacterial expression

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 1
Unit cell lengths	38.260, 92.128, 95.553
Unit cell angles	74.35, 89.29, 79.98

Refinement procedure

Resolution	46.020 - 2.000
R-factor	0.2228
Rwork	0.220
R-free	0.27066
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6HSC
RMSD bond length	0.013
RMSD bond angle	1.948
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.020	2.071
High resolution limit [Å]	2.000	2.000
Rmerge	0.058	0.259
Rmeas	0.082	0.366
Rpim	0.052	0.259
Number of reflections	74409	7010
<I/σ(I)>	18.11
Completeness [%]	89.1	84.48
Redundancy	1.5	1.4
CC(1/2)	0.945	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	292	.05M NaCl, 10% PEG 4000 and 0.05 Tris pH=8.0