5LYF

Crystal structure of 1 in complex with tafCPB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-29
Detector	ADSC QUANTUM 210
Wavelength(s)	0.934
Spacegroup name	P 41 21 2
Unit cell lengths	81.490, 81.490, 95.734
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 2.010
R-factor	0.19202
Rwork	0.184
R-free	0.30479
RMSD bond length	0.022
RMSD bond angle	1.956
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.420	2.100
High resolution limit [Å]	2.010	2.010
Rmerge	0.113	0.284
Number of reflections	21825
<I/σ(I)>	15.7	7.99
Completeness [%]	98.7	90.7
Redundancy	10.4	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	THE PURIFIED PROTEIN WAS DISSOLVED IN 50 MM TRIS-HCL, PH 7.5 AND CONCENTRATED TO 11 MG/ML. 1 UL OF PROTEIN SOLUTION WAS EQUILIBRATED AGAINST 1 UL OF RESERVOIR SOLUTIONS CONTAINING 16-20% PEG3350, 100 MM MES PH 5.5 AND 50 MM ZNACETATE