4P69

Acek (D477A) ICDH complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 63
Unit cell lengths	198.160, 198.160, 156.071
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.970 - 3.300
R-factor	0.1803
Rwork	0.177
R-free	0.24690
RMSD bond length	0.011
RMSD bond angle	1.694
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.27)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.960	19.960	3.500
High resolution limit [Å]	3.300	9.900	3.300
Rmerge	0.157	0.041	0.910
Rpim	0.044	0.010	0.322
Total number of observations	367390	18086	34264
Number of reflections	27331
<I/σ(I)>	14.5	45	2.6
Completeness [%]	99.0	87.9	98.5
Redundancy	13.4	18	8
CC(1/2)	0.989	0.999	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	2mM DTT, 10% glycerol, 0.1M MES pH 6.0, 25%~30% PEG 300