4XCB
Crystal Structure of HygX from Streptomyces hygroscopicus with nickel, 2-oxoglutarate, and hygromycin B bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.220, 117.431, 185.359 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.352 - 1.600 |
| R-factor | 0.2232 |
| Rwork | 0.222 |
| R-free | 0.25290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xca |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.106 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 4.340 | 1.600 |
| Rmerge | 0.054 | 0.027 | 0.344 |
| Rmeas | 0.062 | 0.031 | 0.407 |
| Rpim | 0.030 | 0.015 | 0.212 |
| Total number of observations | 461160 | ||
| Number of reflections | 126988 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 86.3 | 93.8 | 82.7 |
| Redundancy | 3.6 | 3.8 | 3.2 |
| CC(1/2) | 0.999 | 0.893 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 293 | 100 mM MES, 18% PEG20000 |
