4QGR

Crystal structure of a DegT DnrJ EryC1 StrS aminotransferase from Brucella abortus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12709
Spacegroup name	P 1 21 1
Unit cell lengths	47.690, 92.060, 86.410
Unit cell angles	90.00, 96.82, 90.00

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.1574
Rwork	0.156
R-free	0.18510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nu7
RMSD bond length	0.012
RMSD bond angle	1.461
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0071)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.072	0.028	0.547
Number of reflections	74295	840	5459
<I/σ(I)>	13.61	41.91	2.32
Completeness [%]	99.5	95.9	99
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	BrabA.17333.a.B1.PS02033 at 20 mg/mL against MCSG-1 screen condition F2 0.2 M ammonium acetate, 0.1 M BisTris HCl pH 6.5, 25% PEG 3350 supplemented with 25% ethylene glycol as cryo-protectant, crystal tracking ID 254589f2, unique puck ID xrf9-6, VAPOR DIFFUSION, SITTING DROP, temperature 289K