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 |