5XTM

Crystal structure of PhoRpp38 bound to a K-turn in P12.2 helix

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-09-23
Detector	RAYONIX MX-225
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	52.070, 71.720, 91.280
Unit cell angles	90.00, 105.58, 90.00

Refinement procedure

Resolution	39.264 - 2.100
R-factor	0.1981
Rwork	0.197
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2czw
RMSD bond length	0.002
RMSD bond angle	0.581
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.260	39.260	2.230
High resolution limit [Å]	2.100	6.230	2.100
Rmerge	0.085	0.025	0.768
Rmeas	0.096	0.029	0.868
Total number of observations	177058
Number of reflections	37804	1508	6007
<I/σ(I)>	13.7	43.29	2.15
Completeness [%]	99.5	98.6	98.4
Redundancy	4.684	4.404	4.664
CC(1/2)	0.998	0.999	0.723

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Na-Cacodylate, PEG 400, Mg-Acetate