6JY1
Crystal Structure of a Group II pyridoxal dependent decarboxylase, LLP-bound form from Methanocaldococcus jannaschii at 1.72 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-04 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 98.580, 98.580, 122.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.716 - 1.720 |
| R-factor | 0.1641 |
| Rwork | 0.163 |
| R-free | 0.18830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f9t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.992 |
| Data reduction software | iMOSFLM (v7.1) |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.960 | 51.960 | 1.750 |
| High resolution limit [Å] | 1.720 | 9.100 | 1.720 |
| Rmerge | 0.066 | 0.024 | 0.984 |
| Rmeas | 0.071 | 0.026 | 1.047 |
| Rpim | 0.024 | 0.010 | 0.350 |
| Total number of observations | 531270 | ||
| Number of reflections | 64532 | 512 | 3373 |
| <I/σ(I)> | 1.72 | ||
| Completeness [%] | 100.0 | 96.3 | 100 |
| Redundancy | 8.2 | 6.4 | 8.2 |
| CC(1/2) | 0.998 | 0.975 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 0.1M sodium citrate pH 5.4, 0.2M sodium potassium tartarate, 2.0M ammonium sulphate |
