5TI1
Crystal Structure of Fumarylacetoacetate hydrolase from Burkholderia xenovorans LB400
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.900, 83.100, 186.290 |
| Unit cell angles | 101.63, 91.17, 113.81 |
Refinement procedure
| Resolution | 40.311 - 2.000 |
| R-factor | 0.1547 |
| Rwork | 0.154 |
| R-free | 0.19880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4qku |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.821 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MoRDa |
| Refinement software | PHENIX ((dev_2499: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.053 | 0.378 |
| Number of reflections | 227227 | |
| <I/σ(I)> | 12.81 | |
| Completeness [%] | 95.6 | 94.8 |
| Redundancy | 1.99 | 1.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | tray272143 Morpheus C1: 10%Peg 20K, 20%Peg MME 550, 0.03 M NPS, 0.1M MES/imidazole, pH 6.5; cryo: direct; BuxeA.00077.d.B1.PS37875 at 22.1 mg/ml, puck jua8-10 |
