4IGJ
Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.709, 80.817, 88.050 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.219 - 1.480 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jl4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.075 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.539 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.076 | |
| Number of reflections | 67101 | |
| <I/σ(I)> | 23.3 | |
| Completeness [%] | 87.7 | 94.9 |
| Redundancy | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.2 M ammonium sulfate, 0.1 M sodium citrate:HCl, pH 5.6, 15% PEG4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
