3WO7

Crystal structure of YidC from Bacillus halodurans (form II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-10
Detector	RAYONIX MX225HE
Wavelength(s)	1.378
Spacegroup name	P 1 21 1
Unit cell lengths	54.033, 70.058, 82.910
Unit cell angles	90.00, 92.05, 90.00

Refinement procedure

Resolution	45.000 - 3.201
R-factor	0.263
Rwork	0.260
R-free	0.29060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeM-substituted protein structure
RMSD bond length	0.002
RMSD bond angle	0.765
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX ((Phaser-MR))
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.998		3.400
High resolution limit [Å]	3.200	9.430	3.200
Rmerge	0.110	0.035	0.472
Rmeas		0.041	0.549
Number of reflections	19141	745	3236
<I/σ(I)>	10.13	26.44	2.96
Completeness [%]	95.6	94.9	99.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	lipidic qubic phase	6	293	24-26% PEG500DME, 10mM CuCl2, 200mM NH4COOH, 100mM MES-NaOH, pH 6.0, lipidic qubic phase, temperature 293K