2R5R
The crystal structure of DUF198 from Nitrosomonas europaea ATCC 19718
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97951, 0.97965 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 118.705, 118.705, 113.210 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.870 - 3.050 |
| R-factor | 0.24007 |
| Rwork | 0.239 |
| R-free | 0.26052 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.007 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.870 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Rmerge | 0.151 | 0.847 |
| Number of reflections | 9363 | |
| <I/σ(I)> | 17.4 | 1.6 |
| Completeness [%] | 99.1 | 93.6 |
| Redundancy | 9.9 | 7.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 289 | 1.6M NaH2PO4/0.4M K2HPO4, 0.1M Phosphate-Citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
