3HL0
Crystal structure of Maleylacetate reductase from Agrobacterium tumefaciens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-20 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97962 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.808, 120.611, 95.360 |
| Unit cell angles | 90.00, 100.10, 90.00 |
Refinement procedure
| Resolution | 28.840 - 1.600 |
| R-factor | 0.16461 |
| Rwork | 0.163 |
| R-free | 0.18927 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.582 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.610 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.078 | 0.471 |
| Number of reflections | 84095 | |
| <I/σ(I)> | 44.9 | 5.37 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.3 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 297 | 0.2M Calcium chloride dihydrate, 0.1M HEPES pH7.5, 28% P400, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
