2HBV
Crystal Structure of alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde-Decarboxylase (ACMSD)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97904, 0.97918, 0.97818, 0.98034, 0.97951 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 153.557, 48.107, 110.700 |
Unit cell angles | 90.00, 127.31, 90.00 |
Refinement procedure
Resolution | 33.810 - 1.650 |
R-factor | 0.251 |
Rwork | 0.211 |
R-free | 0.25100 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.224 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.028 | 0.189 |
Number of reflections | 72711 | |
<I/σ(I)> | 13.9 | |
Completeness [%] | 46.8 | 22.1 |
Redundancy | 1.6 | 1.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 298 | 15% PEG 5000, 0.2M MgCl2, pH 8.75, vapor diffusion, hanging drop, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 298 | 15% PEG 5000, 0.2M MgCl2, pH 8.75, vapor diffusion, hanging drop, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 298 | 15% PEG 5000, 0.2M MgCl2, pH 8.75, vapor diffusion, hanging drop, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 298 | 15% PEG 5000, 0.2M MgCl2, pH 8.75, vapor diffusion, hanging drop, temperature 298K |