5IKZ

Glycerol bound structure of Obc1, a bifunctional enzyme for quorum sensing-dependent oxalogenesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-12
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	H 3 2
Unit cell lengths	229.970, 229.970, 253.763
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.349 - 2.800
R-factor	0.2
Rwork	0.199
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5iky
RMSD bond length	0.003
RMSD bond angle	0.690
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.5.12)
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	78.340	78.340	2.870
High resolution limit [Å]	2.800	12.830	2.800
Rmerge	0.277	0.070	2.647
Number of reflections	63296
<I/σ(I)>	12.4
Completeness [%]	100.0	98.2	100
Redundancy	19.6	18.5	17.5
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	0.1M HEPES pH 7.0, 1M Sodium citrate tribasic