7U1C
Structure of EstG crystalized with SO4 and Tris
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 277 |
| Detector technology | PIXEL |
| Collection date | 2021-07-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92012 |
| Spacegroup name | P 41 |
| Unit cell lengths | 111.253, 111.253, 56.872 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.830 - 2.090 |
| R-factor | 0.1736 |
| Rwork | 0.172 |
| R-free | 0.20980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ci8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.918 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.440 | 28.440 | 2.140 |
| High resolution limit [Å] | 2.090 | 9.100 | 2.090 |
| Rmerge | 0.091 | 0.049 | 0.829 |
| Rmeas | 0.099 | 0.053 | 0.897 |
| Rpim | 0.037 | 0.020 | 0.339 |
| Total number of observations | 288425 | 3575 | 19596 |
| Number of reflections | 41361 | 535 | 2900 |
| <I/σ(I)> | 12.4 | 30.8 | 2.6 |
| Completeness [%] | 99.2 | 97 | 90.3 |
| Redundancy | 7 | 6.7 | 6.8 |
| CC(1/2) | 0.998 | 0.997 | 0.767 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 20% PEG500 MME, 10% PEG20000, 0.1 M Tris/Bicine pH 8.5 and 90 mM mixture of sodium nitrate, sodium phosphate dibasic and ammonium sulfate |
