6P77
2.5 Angstrom structure of Caci_6494 from Catenulispora Acidiphila
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 | 2016-03-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 159.260, 159.260, 159.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.970 - 2.501 |
| R-factor | 0.20422 |
| Rwork | 0.202 |
| R-free | 0.22456 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.501 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.020 | 2.591 |
| High resolution limit [Å] | 2.500 | 2.501 |
| Rmerge | 0.196 | 1.358 |
| Number of reflections | 23351 | 2330 |
| <I/σ(I)> | 28.48 | |
| Completeness [%] | 100.0 | |
| Redundancy | 21.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 298 | 1.4 M K2HPO4 0.07 M Na2H2PO4 pH 8.3 5% PEG 400 |
