4DXB

2.29A structure of the engineered MBP TEM-1 fusion protein RG13 in complex with zinc, P1 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	2007-01-27
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0810
Spacegroup name	P 1
Unit cell lengths	48.316, 74.177, 103.130
Unit cell angles	83.54, 77.64, 89.98

Refinement procedure

Resolution	31.450 - 2.290
R-factor	0.23492
Rwork	0.232
R-free	0.29166
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1ZG4 AND 1OMP
RMSD bond length	0.007
RMSD bond angle	0.960
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.450	2.380
High resolution limit [Å]	2.290	2.290
Rmerge	0.054	0.223
Number of reflections	59138
<I/σ(I)>		3.8
Completeness [%]	56.8	95.5
Redundancy	1.9	1.9

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