4NNC

Ternary complex of ObcA with C4-CoA adduct and oxalate

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
Detector	ADSC Quantum Q270r
Wavelength(s)	0.97935
Spacegroup name	P 43 21 2
Unit cell lengths	174.634, 174.634, 46.057
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.119 - 2.279
R-factor	0.2039
Rwork	0.202
R-free	0.23510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nna
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.280	2.280
Rmerge	0.150	0.949
Number of reflections	33093
<I/σ(I)>	11.44	2.8
Completeness [%]	99.6	98.83
Redundancy	9.4	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295	0.2M K/Na tartrate, 0.1M Sodium citrate, 2M Ammonium Sulfate, 15% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 295K, pH 5.6