7JFN

Crystal Structure of Leucine-, isoleucine-, valine-, threonine-, and alanine-binding protein from Brucella ovis, closed conformation

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	2020-06-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	46.770, 69.390, 120.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.820 - 1.700
R-factor	0.1571
Rwork	0.155
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	open form structure PDB entry 4xfk
RMSD bond length	0.008
RMSD bond angle	0.909
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.038	0.020	0.430
Rmeas	0.042	0.022	0.487
Number of reflections	43048	551	2653
<I/σ(I)>	22.92	46.25	2.57
Completeness [%]	97.7	96.3	82.3
Redundancy	5.665	4.985	3.939
CC(1/2)	0.999	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	RigakuReagents JCSG+ screen, condition A12: 20% PEG 3350, 200mM Potassium nitrate: BrovA.17370.a.B2.PS02137 at 25mg/ml: over night soak with 10mM Thr (did not show in electron density): tray: 257609a12, cryo: 20%EG+soak, puck tds8-10