5LYI

Crystal structure of 1 in complex with tafCPB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.03320
Spacegroup name	P 41 21 2
Unit cell lengths	82.039, 82.039, 95.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.030 - 1.640
R-factor	0.17469
Rwork	0.172
R-free	0.20705
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]	95.790	1.710
High resolution limit [Å]	1.640	1.640
Rmerge	0.065	0.363
Number of reflections	40237
<I/σ(I)>	10.2	5.82
Completeness [%]	98.9	92.5
Redundancy	10.2	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	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