5B6O

Crystal structure of MS8104

Replaces:  2YY4

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]	80
Detector technology	CCD
Collection date	2006-11-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	63.682, 90.237, 110.268
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.617 - 2.202
R-factor	0.2087
Rwork	0.206
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2duc 1uj1
RMSD bond length	0.010
RMSD bond angle	1.197
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	32224
<I/σ(I)>	24.2	5.5
Completeness [%]	97.9	96.8
Redundancy	7.846	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.3	293	Sodium Chloride, PEG 4000 , pH 7.3, temperature 293K