6T0Y

Crystal structure of YlmD from Geobacillus stearothermophilus

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)	0.97628
Spacegroup name	P 21 21 21
Unit cell lengths	41.780, 48.636, 134.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.435 - 1.200
R-factor	0.1492
Rwork	0.148
R-free	0.16680
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 (1.16-3549)
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.610	1.250
High resolution limit [Å]	1.190	1.190
Rmerge	0.049	3.571
Rmeas	0.053	3.889
Rpim	0.021	1.521
Number of reflections	88850	12741
<I/σ(I)>	12.4
Completeness [%]	99.9	6.58
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