6MSQ

Crystal structure of pRO-2.3

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)	0.999913
Spacegroup name	P 63
Unit cell lengths	50.566, 50.566, 130.753
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.790 - 1.280
R-factor	0.1736
Rwork	0.173
R-free	0.19440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Computational Design Model
RMSD bond length	0.007
RMSD bond angle	0.731
Data reduction software	XDS (Jun 17, 2015)
Data scaling software	XDS (Jun 17, 2015)
Phasing software	PHASER (2.7.16)
Refinement software	PHENIX ((dev_3112: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.790	1.300
High resolution limit [Å]	1.280	1.280
Rmerge	0.117	3.554
Rmeas	0.125	3.880
Rpim	0.042	1.536
Number of reflections	48515	2430
<I/σ(I)>	7.8	0.5
Completeness [%]	99.8	100
Redundancy	8.8	6.4
CC(1/2)	0.997	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290.15	0.2M di-sodium tartrate and 20% w/v PEG 3350