2O73
Structure of OHCU decarboxylase in complex with allantoin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 |
| Unit cell lengths | 102.212, 102.212, 103.868 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 83.000 - 1.800 |
| R-factor | 0.21876 |
| Rwork | 0.217 |
| R-free | 0.25151 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2o70 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.199 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.390 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.089 | 0.450 |
| Number of reflections | 104588 | |
| <I/σ(I)> | 9.5 | 1.7 |
| Completeness [%] | 93.0 | 72.7 |
| Redundancy | 2.7 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 278 | 20% (v/v) EtOH, 100mM TrisHCl, pH 8.5, VAPOR DIFFUSION, temperature 278K |
