5IHP

Crystal Structure of Cobyrinic Acid a,c-diamide synthase from Mycobacterium smegmatis with bound ADP and Magnesium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-30
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 41 21 2
Unit cell lengths	88.750, 88.750, 120.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.630 - 1.850
Rwork	0.172
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4pfs
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((DEV_2299: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.000	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.060	0.542
Number of reflections	41651
<I/σ(I)>	29.11	4.9
Completeness [%]	100.0	100
Redundancy	12.07

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 UL X 0.4 UL DROP WITH JCSG SCREEN CONDITION F3: 20% (V/V) MPD, 100 MM TRIS PH 8.0; 3 DAY SOAK WITH 5 MM ADP + 5 MM MGCL2; 20% ETHYLENE GLYCOL CRYOPROTECTANT