4Y0K
Structure of crotonyl-CoA carboxylase/reductase AntE in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-18 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 68.200, 92.530, 134.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.549 - 2.203 |
| R-factor | 0.1791 |
| Rwork | 0.176 |
| R-free | 0.23510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a10 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.051 |
| Phasing software | MOLREP ((CCP4 Program Suite 6.4.0)) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.127 | 0.740 |
| Number of reflections | 21938 | |
| <I/σ(I)> | 15.92 | 3 |
| Completeness [%] | 99.7 | 98.6 |
| Redundancy | 7.31 | 7.09 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10 | 293 | 50 mM CAPS pH 10.0, 38% PEG400 |
