5LYL

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	82.513, 82.513, 95.131
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.380 - 1.830
R-factor	0.14495
Rwork	0.141
R-free	0.19922
RMSD bond length	0.011
RMSD bond angle	1.259
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]	82.530	1.890
High resolution limit [Å]	1.830	1.830
Rmerge	0.102	0.467
Number of reflections	29051
<I/σ(I)>	20.89	5.81
Completeness [%]	98.1	97.5
Redundancy	11	11.2

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 SOLUTION CONTAINING 16-20% PEG3350, 100 MM MES PH 5.5 AND 50 MM ZNACETATE