6M4Y
Structure of a R371A mutant of a Group II PLP dependent decarboxylase from Methanocaldococcus jannaschii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2017-08-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 98.440, 98.440, 121.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.270 - 2.100 |
| R-factor | 0.1653 |
| Rwork | 0.164 |
| R-free | 0.20010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6jy1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.999 |
| Data reduction software | iMOSFLM (v7.1) |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.270 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.208 | 1.202 |
| Rmeas | 0.212 | 1.226 |
| Rpim | 0.041 | 0.240 |
| Number of reflections | 35618 | 2856 |
| <I/σ(I)> | 16.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 26.5 | 25.9 |
| CC(1/2) | 0.998 | 0.851 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M sodium citrate pH 5.4, 0.2M sodium potassium tartarate, 2.0M ammonium sulphate |
