8W9U

Crystal structure of CspR from Bacillus subtilis complexed with SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2022-10-21
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1
Unit cell lengths	39.763, 46.959, 50.090
Unit cell angles	110.33, 92.71, 106.56

Refinement procedure

Resolution	39.200 - 1.850
R-factor	0.197
Rwork	0.195
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.007
RMSD bond angle	1.048
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158:000))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.200	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.111
Rmeas	0.130
Number of reflections	24862	1626
<I/σ(I)>	4.56
Completeness [%]	90.5
Redundancy	3.8
CC(1/2)	0.993	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Potassium sodium tartrate tetrahydrate, Sodium citrate tribasic dihydrate pH 5.6, ammonium sulfate