5LYD

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	2005-06-15
Detector	ADSC QUANTUM 210
Wavelength(s)	0.93
Spacegroup name	P 41 21 2
Unit cell lengths	82.320, 82.320, 95.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.930 - 2.020
R-factor	0.178
Rwork	0.177
R-free	0.19500
RMSD bond length	0.007
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNX (2005)
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.260	2.080
High resolution limit [Å]	2.020	2.020
Rmerge		0.466
Number of reflections	22019
<I/σ(I)>	14.19	4.42
Completeness [%]	99.9	100
Redundancy	7.1	7.1

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