1TUF
Crystal structure of Diaminopimelate Decarboxylase from m. jannaschi
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 | 2001-08-20 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 1.4 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 80.806, 80.806, 508.503 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 2.400 |
R-factor | 0.204 |
Rwork | 0.204 |
R-free | 0.25300 |
Structure solution method | SIRAS |
Starting model (for MR) | Model built with electron density map calculated using a Platinum derivative. |
RMSD bond length | 0.007 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 36391 | |
<I/σ(I)> | 4.9 | 4.8 |
Completeness [%] | 90.3 | 53.4 |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 12% PEG6000, 0.1M Tris-HCl, 20mM MgCl2, 25mM azelaic acid, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 12% PEG6000, 0.1M Tris-HCl, 20mM MgCl2, 25mM azelaic acid, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |