7RHE

Crystal Structure of ROK family protein from Burkholderia vietnamiensis G4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-03
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 31 2 1
Unit cell lengths	112.410, 112.410, 63.090
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.670 - 2.300
R-factor	0.2047
Rwork	0.199
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ab-initio model from RobeTTA-fold
RMSD bond length	0.006
RMSD bond angle	0.816
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.054	0.019	0.578
Rmeas	0.057	0.021	0.616
Number of reflections	20667	248	1514
<I/σ(I)>	24.05	63.78	3.79
Completeness [%]	99.6	91.5	100
Redundancy	8.413	6.948	8.497
CC(1/2)	1.000	0.999	0.911

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	287	RigakuReagents JCSG+ screen, condition H7: 200mM ammonium sulfate, 100mM BisTris pH 5.5, 25% (w/V) PEG 3350: BuviA.12797.a.B1.PS02541 at 19.5mg/ml + 2mM ADP 4mM glucose + 2mM MgCl2': tray 269309 h7: cryio: 20% EG: puck: ocr0-5