5ZOJ

Crystal structure of human SMAD2-MAN1 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2015-05-29
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	176.813, 176.813, 73.854
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.469 - 2.794
R-factor	0.2433
Rwork	0.242
R-free	0.26920
RMSD bond length	0.002
RMSD bond angle	0.574
Data reduction software	XDS
Data scaling software	Aimless (0.5.29)
Phasing software	MOLREP
Refinement software	PHENIX (1.12rc2_2821: ???)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.550	45.550	2.940
High resolution limit [Å]	2.790	8.830	2.790
Rmerge	0.148	0.071	1.088
Rmeas	0.162	0.079	1.257
Rpim	0.065	0.032	0.615
Total number of observations	171576
Number of reflections	31950	1040	4471
<I/σ(I)>	8.2
Completeness [%]	96.9	94.4	92.8
Redundancy	5.4	5.4	3.6
CC(1/2)	0.994	0.994	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	0.1M acetate, 7.5% PEG4000, 10% 2-propanol