4MTU
beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-05-24 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.90, 1.28257, 1.28314 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 78.110, 78.110, 102.810 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 0.970 |
R-factor | 0.1459 |
Rwork | 0.146 |
R-free | 0.15900 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 0.032 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 0.990 |
High resolution limit [Å] | 0.970 | 0.970 |
Number of reflections | 107732 | |
<I/σ(I)> | 35.3 | 2.2 |
Completeness [%] | 98.8 | 95.5 |
Redundancy | 7 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 10% PEG MME 550, 100 mmol L-1 MES, 50 mmol L-1 ZnSO4, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |