4PFS

Crystal Structure of Cobyrinic Acid a,c-diamide synthase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-27
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 41 21 2
Unit cell lengths	88.810, 88.810, 122.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.720 - 2.300
R-factor	0.171
Rwork	0.168
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wcv
Phasing software	BALBES
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1675))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.088	0.515
Number of reflections	22458
<I/σ(I)>	19.92	4.5
Completeness [%]	99.9	100
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	EBS INTERNAL TRACKING NUMBER 500 MM NACL, 2 MM DTT, 0.025% SODIUM AZIDE, 5% GLYCEROL, 0.4 100 MM TRIS PH 8.0; 10% MPD ADDED AS CRYOPROTECTANT, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 289K