7RCJ
Crystal structure of ZnuA from Citrobacter koseri
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.977408 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 122.246, 81.667, 126.555 |
| Unit cell angles | 90.00, 112.99, 90.00 |
Refinement procedure
| Resolution | 47.470 - 3.150 |
| R-factor | 0.2191 |
| Rwork | 0.217 |
| R-free | 0.25410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xy4 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.643 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.1.27) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.470 | 47.420 | 3.280 |
| High resolution limit [Å] | 3.150 | 11.360 | 3.150 |
| Rmerge | 0.220 | 0.032 | 1.692 |
| Rmeas | 0.257 | 0.038 | 1.972 |
| Rpim | 0.131 | 0.020 | 1.002 |
| Total number of observations | 3013 | 16672 | |
| Number of reflections | 39993 | 885 | 4489 |
| <I/σ(I)> | 5.9 | 28.4 | 0.8 |
| Completeness [%] | 99.8 | 97.2 | 99.8 |
| Redundancy | 3.7 | 3.4 | 3.7 |
| CC(1/2) | 0.990 | 0.998 | 0.339 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Protein at 18 mg/mL and containing one molar equivalent of ZnCl2 was combined with an equal volume of reservoir solution containing 0.1 M sodium citrate pH 6.0, 0.05 M ammonium acetate, 1 mM tellurium polyoxo tungstate, and 26% w/v PEG 4000. |
