6UC1
Crystal structure of D678A GoxA soaked in 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 | 2018-10-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 110.213, 93.529, 188.334 |
| Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
| Resolution | 48.376 - 2.190 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.20610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6byw |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.380 | 48.380 | 2.230 |
| High resolution limit [Å] | 2.190 | 12.000 | 2.190 |
| Rmerge | 0.087 | 0.026 | 0.810 |
| Rmeas | 0.102 | 0.030 | 0.941 |
| Rpim | 0.052 | 0.015 | 0.475 |
| Total number of observations | 722737 | 4693 | 37625 |
| Number of reflections | 195196 | 1242 | 9697 |
| <I/σ(I)> | 10.4 | 32.9 | 1.9 |
| Completeness [%] | 99.5 | 96.8 | 99.9 |
| Redundancy | 3.7 | 3.8 | 3.9 |
| CC(1/2) | 0.997 | 0.999 | 0.699 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 293 | Protein at 10 mg/mL was combined with 23% PEG 3350, 0.1 M ammonium sulfate, 0.1 M HEPES pH 7.5 |
