3L1E

Bovine AlphaA crystallin Zinc Bound

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	2009-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	56.215, 56.215, 68.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.748 - 1.150
R-factor	0.166
Rwork	0.164
R-free	0.19300
Structure solution method	SIRAS
RMSD bond length	0.007
RMSD bond angle	1.227
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	80.000	80.000	1.140
High resolution limit [Å]	1.100	2.370	1.100
Rmerge	0.058	0.023	0.490
Number of reflections	41444
<I/σ(I)>	17
Completeness [%]	91.3	80.2	77.3
Redundancy	5.9	4.3	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.1M HEPES pH 7.0, 5% TACSIMATE pH 7.0, 10% PEG 5000 MME, vapor diffusion, hanging drop, temperature 298K