4DXC

Crystal structure of the engineered MBP TEM-1 fusion protein RG13, C2 space group

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0810
Spacegroup name	C 1 2 1
Unit cell lengths	124.450, 47.844, 108.288
Unit cell angles	90.00, 114.14, 90.00

Refinement procedure

Resolution	42.320 - 2.300
R-factor	0.23593
Rwork	0.233
R-free	0.29097
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1ZG4 AND 1OMP
RMSD bond length	0.006
RMSD bond angle	0.942
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0088)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.320	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.051	0.051
Number of reflections	23194
<I/σ(I)>		2.7
Completeness [%]	50.0	88.2
Redundancy	2.3	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	A 1.0 uL drop was prepared using 0.5 uL protein mixture (13.8 mg/mL RG13, 2.5 mM zinc chloride) and 0.5 uL reservoir solution (0.2 M ammonium acetate, 0.1 M Tris, pH 8.5-9.5, 15-30% PEG3350) and equilibrated over a 1 ml reservoir solution, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K