7N1L

Crystal Structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis biovar Abortus 2308

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97742
Spacegroup name	P 1
Unit cell lengths	67.020, 114.900, 122.000
Unit cell angles	87.12, 76.27, 73.14

Refinement procedure

Resolution	48.730 - 2.300
R-factor	0.2094
Rwork	0.209
R-free	0.24840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	MR rosetta based on PDB entries 5F47 6bvc 5hmn 2fe7 3i9s 3fyn 2eui 1qsm 3t9y 1z4e 1s3z 2r1i 3jvn 2dxq 5t7d 3d8p 4e04 4evy 1mk4
RMSD bond length	0.007
RMSD bond angle	0.893
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.19 dev 4224)

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	0.077	0.022	0.537
Rmeas	0.090	0.026	0.623
Number of reflections	147858	1658	10763
<I/σ(I)>	14.05	46.77	2.62
Completeness [%]	98.4	98.3	97.6
Redundancy	3.862	3.833	3.878
CC(1/2)	0.998	0.999	0.842

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	RigakuReagents JCSG+ screen, condition G1: 30% (V/V) Jeffamine ED-2003, 100mM HEPES free acid / sodium hydroxide pH 7.0: BrabA.17502.a.A1.PS01129 at 26mg/ml: tray 236060 G1: cryo: 20% EG: puck kzs9-7.