3C9T

AaThiL complexed with AMPPCP and TMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 21 21 21
Unit cell lengths	60.750, 66.843, 196.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.650 - 2.600
R-factor	0.213
Rwork	0.213
R-free	0.27000
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.038	0.143
Number of reflections	22109
<I/σ(I)>	18
Completeness [%]	90.0	82.6
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295	6-11% isopropanol, 200 mM NaCl, 4-6% 2-methyl-2,4-pentanediol, 10 mM CaCl2, pH 7.4, vapor diffusion, hanging drop, temperature 295K