5IAV
Mechanistic and Structural Analysis of Substrate Recognition and Cofactor Binding by an Unusual Bacterial Prolyl Hydroxylase - Co-BaP4H-MLI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-16 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97860 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.769, 41.495, 111.043 |
| Unit cell angles | 90.00, 96.67, 90.00 |
Refinement procedure
| Resolution | 29.683 - 1.700 |
| R-factor | 0.2124 |
| Rwork | 0.211 |
| R-free | 0.22890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5iat |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.078 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.683 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.026 | |
| Number of reflections | 42773 | |
| <I/σ(I)> | 25.5 | 6.6 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MIB buffer pH 6.5, 18 % PEG 1500 |
