4PYW

1.92 angstrom crystal structure of A1AT:TTAI ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Wavelength(s)	1.03320
Spacegroup name	C 1 2 1
Unit cell lengths	113.710, 38.960, 93.130
Unit cell angles	90.00, 100.13, 90.00

Refinement procedure

Resolution	55.870 - 1.910
R-factor	0.19219
Rwork	0.190
R-free	0.22497
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.550
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.870	2.020
High resolution limit [Å]	1.910	1.910
Rmerge		0.408
Number of reflections	30573
<I/σ(I)>		2.5
Completeness [%]		99.2
Redundancy		4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	26% PEG3350, 0.1 M Bis-Tris pH6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K