4NNA

Apo structure of ObcA

Experimental procedure

Experimental method	MAD
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	173.548, 173.548, 46.249
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.807 - 2.103
R-factor	0.1998
Rwork	0.198
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.077
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.180	0.593
Number of reflections	40015
<I/σ(I)>	12.13	5.02
Completeness [%]	95.9	99.75
Redundancy	13.7	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1M Tris pH 8.0, 0.2M magnesium chloride, 20% PEG6000 , VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1M Tris pH 8.0, 0.2M magnesium chloride, 20% PEG6000 , VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1M Tris pH 8.0, 0.2M magnesium chloride, 20% PEG6000 , VAPOR DIFFUSION, SITTING DROP, temperature 295K