4H0V

Crystal structure of NAD+-Ia(E378S)-actin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-29
Detector	ADSC QUANTUM 210r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	53.879, 134.939, 153.942
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.020 - 2.030
R-factor	0.21671
Rwork	0.216
R-free	0.23432
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4h03
RMSD bond length	0.007
RMSD bond angle	1.439
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP (11.0)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.030	2.030
Rmerge	0.053	0.378
Number of reflections	71718
<I/σ(I)>	17	6.2
Completeness [%]	97.6	92.3
Redundancy	6.1	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.13	18% PEG1500, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.13K