4N6W
X-Ray Crystal Structure of Citrate-bound PhnZ
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2013-04-23 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 68.871, 68.871, 98.842 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.947 - 1.850 |
| R-factor | 0.1896 |
| Rwork | 0.188 |
| R-free | 0.21180 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.940 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.947 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.063 | 0.817 |
| Number of reflections | 23752 | |
| <I/σ(I)> | 49.6 | 3.1 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 10.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | trisodium citrate, HEPES, pH 7.5, Vapor diffusion, sitting drop, temperature 294K |
