4MZQ
beta-Alanyl-CoA:Ammonia Lyase from Clostridium propionicum in complex with propionyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.520, 110.965, 115.370 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 34.277 - 1.587 |
| R-factor | 0.1808 |
| Rwork | 0.179 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mtu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.170 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1492)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.620 |
| High resolution limit [Å] | 1.587 | 1.590 |
| Number of reflections | 213356 | |
| <I/σ(I)> | 11.8 | 2.6 |
| Completeness [%] | 94.7 | 91.4 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | 23% PEG 4000, 100 mmol L-1 CHES pH 9.0, 100 mmol L-1 (NH4)2SO4 and 2% (w/v) benzamidineHCl, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
