3TDX

Crystal structure of HSC L82V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.975
Spacegroup name	P 21 21 21
Unit cell lengths	99.012, 118.661, 151.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.690 - 2.500
R-factor	0.165
Rwork	0.162
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kly
RMSD bond length	0.007
RMSD bond angle	0.996
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.103	0.039	0.707
Number of reflections	77094
<I/σ(I)>	7.1
Completeness [%]	99.1	99.5	98.3
Redundancy	8.5	8.7	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	PEG 400, pH 7.5, vapor diffusion, temperature 298K