Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9792 |
Spacegroup name | H 3 2 |
Unit cell lengths | 99.997, 99.997, 100.873 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.900 - 1.570 |
R-factor | 0.147 |
Rwork | 0.145 |
R-free | 0.16800 |
Structure solution method | SAD |
RMSD bond length | 0.019 |
RMSD bond angle | 1.819 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.900 | 1.600 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.051 | 0.610 |
Number of reflections | 27101 | |
<I/σ(I)> | 17.8 | 1.66 |
Completeness [%] | 98.8 | 84.1 |
Redundancy | 12.7 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 15% ETHANOL, 0.1 M MES BUFFER, 0.2 M ZINC ACETATE, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |