6WUQ
Crystal structure of AjiA1 in apo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976195 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 128.777, 128.777, 101.449 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.816 - 2.003 |
| R-factor | 0.1898 |
| Rwork | 0.188 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y27 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.924 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.870 | 48.870 | 2.050 |
| High resolution limit [Å] | 2.000 | 9.180 | 2.000 |
| Rmerge | 0.067 | 0.027 | 2.573 |
| Rmeas | 0.069 | 0.028 | 2.637 |
| Rpim | 0.015 | 0.007 | 0.576 |
| Total number of observations | 1320343 | 12726 | 92631 |
| Number of reflections | 65461 | 757 | 4483 |
| <I/σ(I)> | 24.4 | 95.6 | 1.7 |
| Completeness [%] | 99.8 | 99.4 | 97.9 |
| Redundancy | 20.2 | 16.8 | 20.7 |
| CC(1/2) | 1.000 | 1.000 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 35% PEG 300, 100 mM Potassium Citrate Phosphate |
