6SZZ

Crystal structure of Cold Shock Protein B (CspB) containing the modified residue 4-F-Trp

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-16
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	56.050, 56.050, 55.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.640 - 2.050
R-factor	0.2097
Rwork	0.208
R-free	0.23120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1csp
RMSD bond length	0.008
RMSD bond angle	0.922
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.640	2.150
High resolution limit [Å]	2.050	2.050
Number of reflections	5913	762
<I/σ(I)>	28.89
Completeness [%]	99.8
Redundancy	24.75
CC(1/2)	1.000	0.584

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M BIS-TRIS propane pH 7.0,1.2 M Sodium citrate tribasic dihydrate