5XOB

Crystal structure of apo TiaS (tRNAIle2 agmatidine synthetase)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	90
Detector technology	CCD
Collection date	2010-11-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	68.926, 68.926, 211.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.290 - 2.480
R-factor	0.24518
Rwork	0.245
R-free	0.29439
RMSD bond length	0.006
RMSD bond angle	1.224
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.470
Number of reflections	18539
<I/σ(I)>	21.3
Completeness [%]	99.1
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	50mM HEPES-Na pH7.0-7.2, 0.5M NH4Ac, 0.2M MgCl2, 1.5-2.5% PEG 8000