6T1B

Crystal structure of YlmD from Geobacillus stearothermophilus in complex with inosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-09
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	41.556, 48.483, 134.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.615 - 1.200
R-factor	0.1535
Rwork	0.153
R-free	0.16690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t8h
Data reduction software	XDS (11)
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER (1.16)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.620	1.243
High resolution limit [Å]	1.200	1.200
Rmerge	0.049	3.571
Rmeas	0.053	3.889
Rpim	0.021	1.521
Number of reflections	85886	12741
<I/σ(I)>	12.4
Completeness [%]	99.9	99.7
Redundancy	6.5	6.3
CC(1/2)	0.999	0.377

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	25% PEG 6000, 0.5 M NaCl, 0.1 M HEPES pH 7.5