5JGJ
Crystal structure of GtmA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 62 |
| Unit cell lengths | 94.729, 94.729, 52.729 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.357 - 1.660 |
| R-factor | 0.1686 |
| Rwork | 0.168 |
| R-free | 0.18620 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.352 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | SHELXDE |
| Refinement software | PHENIX (dev_2608) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.360 | 44.360 | 1.690 |
| High resolution limit [Å] | 1.660 | 9.090 | 1.660 |
| Rmerge | 0.050 | 0.046 | 1.469 |
| Rmeas | 0.052 | 0.048 | 1.510 |
| Rpim | 0.012 | 0.011 | 0.347 |
| Total number of observations | 629629 | 3947 | 29881 |
| Number of reflections | 32033 | ||
| <I/σ(I)> | 29.7 | 80.5 | 2.3 |
| Completeness [%] | 100.0 | 99.4 | 100 |
| Redundancy | 19.7 | 18.5 | 18.7 |
| CC(1/2) | 1.000 | 0.998 | 0.765 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 20% PEG 3350, 0.2 M sodium formate |
