6UBR
Crystal structure of D678A GoxA bound to glycine at pH 7.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-30 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 110.679, 93.348, 187.853 |
| Unit cell angles | 90.00, 94.95, 90.00 |
Refinement procedure
| Resolution | 48.288 - 1.960 |
| R-factor | 0.1755 |
| Rwork | 0.175 |
| R-free | 0.20940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6byw |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.290 | 48.290 | 1.990 |
| High resolution limit [Å] | 1.960 | 10.740 | 1.960 |
| Rmerge | 0.069 | 0.023 | 0.482 |
| Rmeas | 0.081 | 0.027 | 0.574 |
| Rpim | 0.042 | 0.013 | 0.306 |
| Total number of observations | 951567 | 6272 | 44639 |
| Number of reflections | 271688 | 1722 | 13478 |
| <I/σ(I)> | 11.5 | 34.3 | 2.2 |
| Completeness [%] | 99.5 | 96.4 | 99.8 |
| Redundancy | 3.5 | 3.6 | 3.3 |
| CC(1/2) | 0.998 | 0.999 | 0.778 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 293 | Protein at 10 mg/mL was combined in a 1:1 ratio with a solution containing 21% PEG 3350, 0.1 M ammonium sulfate, 0.1 M HEPES pH 7.5 |
