6MSR

Crystal structure of pRO-2.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2018-01-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.999994
Spacegroup name	C 1 2 1
Unit cell lengths	57.618, 33.281, 114.455
Unit cell angles	90.00, 99.56, 90.00

Refinement procedure

Resolution	28.717 - 1.550
R-factor	0.2434
Rwork	0.242
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computationally designed model
RMSD bond length	0.003
RMSD bond angle	0.447
Data reduction software	XDS (Jun 17, 2015)
Data scaling software	XDS (Jun 17, 2015)
Phasing software	PHASER (2.8.1)
Refinement software	PHENIX ((1.13_2992: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.440
High resolution limit [Å]	1.400	1.400
Rmerge	0.081	3.497
Rmeas	0.092	4.008
Rpim	0.043	1.924
Number of reflections	42699	4249
<I/σ(I)>	7.63	0.4
Completeness [%]	99.6	99.28
Redundancy	4.5	4.17
CC(1/2)	0.993	0.228

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290.15	0.2 M Potassium acetate and 20% w/v PEG 3350