6APF

Trans-acting transferase from Disorazole synthase complexed with Citrate.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	104.260, 104.260, 138.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.170 - 1.630
R-factor	0.1687
Rwork	0.168
R-free	0.19140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Native enzyme PDB code: 3RGI
RMSD bond length	0.009
RMSD bond angle	1.474
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.170	39.170	1.670
High resolution limit [Å]	1.630	7.290	1.630
Rmerge	0.067	0.019	0.982
Rmeas	0.073	0.021	1.078
Total number of observations	615784
Number of reflections	95319	1203	6965
<I/σ(I)>	18.91	62.6	2.07
Completeness [%]	99.8	97.9	99.9
Redundancy	6.46	6.326	5.99
CC(1/2)	0.999	1.000	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	298	1.6M Ammonium Sulfate, 100 mM sodium citrate (pH 4.5)