6M87

Fab 10A6 in complex with MPTS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03318
Spacegroup name	P 32
Unit cell lengths	186.485, 186.485, 89.909
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.792 - 2.609
R-factor	0.243
Rwork	0.228
R-free	0.26450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mex
RMSD bond length	0.002
RMSD bond angle	0.613
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.800	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.098	1.970
Rmeas	0.108	2.160
Rpim	0.045	0.910
Number of reflections	106209	5329
<I/σ(I)>	20	1
Completeness [%]	99.9	100
Redundancy	5.7	5.7
CC(1/2)	0.879	0.384

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	295	1.6M ammonium sulfate, 0.1M acetate, 20% glycerol