2OV8

Crystal Structure of StaL

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795, 0.9794, 0.9643
Spacegroup name	P 61 2 2
Unit cell lengths	86.018, 86.018, 164.753
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.540 - 2.580
R-factor	0.251
Rwork	0.249
R-free	0.27900
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.480
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.09)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.670
High resolution limit [Å]	2.580	2.580
Rmerge	0.055	0.471
Number of reflections	12023
<I/σ(I)>	20.7
Completeness [%]	99.9	100
Redundancy	29.7	22.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1M NaAc pH4.6, 3.0M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1M NaAc pH4.6, 3.0M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1M NaAc pH4.6, 3.0M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	0.1M NaAc pH4.6, 3.0M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 295K