4J4L

Modular evolution and design of the protein binding interface

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.319, 134.001, 148.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.090 - 2.300
Rwork	0.205
R-free	0.26843
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1alu
RMSD bond length	0.015
RMSD bond angle	1.796
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.090	2.360
High resolution limit [Å]	2.300	2.300
Number of reflections	38083
Completeness [%]	95.8	78.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	290	0.1M magnesium formate, 15-18% w/v polyethylene glycol 3350, pH 8.0, VAPOR DIFFUSION, temperature 290K