4PBS

Crystal structure of the M. jannaschii F9 tRNA synthetase variant bound to 4-(2-bromoisobutyramido)-phenylalanine (BibaF)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 43 21 2
Unit cell lengths	101.470, 101.470, 71.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.600 - 2.011
R-factor	0.182
Rwork	0.179
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zp1
RMSD bond length	0.006
RMSD bond angle	0.804
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	24.600
High resolution limit [Å]	2.000
Number of reflections	24581
<I/σ(I)>	9.6
Completeness [%]	94.8
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	23% PEG 300, 5% PEG 8000, 10% glycerol and 100 mM Tris