7X51
Crystal structure of Bacteroides thetaiotaomicron glutamate decarboxylase BTGAD-PLP-GUA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-05-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.820, 131.416, 109.839 |
| Unit cell angles | 90.00, 100.19, 90.00 |
Refinement procedure
| Resolution | 36.040 - 2.000 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pmm |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.925 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.1_4122: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.110 | 0.055 | 0.555 |
| Rmeas | 0.119 | 0.060 | 0.605 |
| Rpim | 0.045 | 0.023 | 0.238 |
| Total number of observations | 1409197 | ||
| Number of reflections | 206750 | 20956 | 20616 |
| <I/σ(I)> | 3.5 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 6.8 | 6.7 | 6.3 |
| CC(1/2) | 0.992 | 0.997 | 0.827 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.52 | 293 | 13% PEG 3350, 0.1M pH4.52 sodium malonate |
