4NNB

Binary complex of ObcA with oxaloacetate

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	177.005, 177.005, 47.833
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.580 - 2.000
R-factor	0.2117
Rwork	0.210
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.089
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	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.121	0.495
Number of reflections	49954
<I/σ(I)>	13.29	4.73
Completeness [%]	96.2	99.96
Redundancy		9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.1M HEPES pH 7.5, 3% PEG 400, 2.08M Ammonium Sulfate, 0.1M Magnesium Chlorite, 15% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 295K