9QW7

The crystal structure of the adenyly transferase domain of Candida glabrata tRNA ligase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 32 2 1
Unit cell lengths	81.796, 81.796, 286.593
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.500 - 2.750
R-factor	0.2198
Rwork	0.218
R-free	0.26250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.526
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5015: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	95.531	95.531	3.119
High resolution limit [Å]	2.750	9.829	2.754
Rmerge	0.119	0.054	1.346
Rmeas	0.139	0.066	1.486
Rpim	0.070	0.036	0.620
Number of reflections	15312	765	766
<I/σ(I)>	3.411	4.954	1.587
Completeness [%]	51.3	99.74	8.4
Redundancy	3.65	3.02	5.57
CC(1/2)	0.994	0.992	0.556

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	25% PEG 8000, 100mM MES6KOH, 2.5mM MgCl2