9RMV

Crystal Structure of the ERH SAFB2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.87313
Spacegroup name	P 1 21 1
Unit cell lengths	31.797, 78.480, 53.839
Unit cell angles	90.00, 107.05, 90.00

Refinement procedure

Resolution	31.210 - 1.700
R-factor	0.1839
Rwork	0.183
R-free	0.20580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.756
Data reduction software	DIALS (2.2.10)
Data scaling software	Aimless (0.8)
Phasing software	PHENIX (1.21_5207)
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.040	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	27817	1490
<I/σ(I)>	8	1
Completeness [%]	99.9
Redundancy	3.3
CC(1/2)	0.996	0.498

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295.15	Morpheus B4 0.1 M Imidazole; MES monohydrate (acid) pH 6.5; 0.03 M Sodium fluoride; 0.03 M Sodium bromide; 0.03M Sodium iodide; 12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350