3P51
Three-dimensional structure of protein Q2Y8N9_NITMU from nitrosospira multiformis, Northeast structural genomics consortium target NMR118
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 80.409, 80.409, 108.256 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.204 - 2.056 |
| R-factor | 0.194 |
| Rwork | 0.191 |
| R-free | 0.22300 |
| Structure solution method | SAD |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.082 | 0.330 |
| Number of reflections | 23884 | |
| <I/σ(I)> | 39.5 | 2.9 |
| Completeness [%] | 97.8 | 83.3 |
| Redundancy | 10.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | macrobatch under oil | 7 | 293 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: LiCl 4.42M, Bis-Tris Propane 0.1M, macrobatch under oil, temperature 293K |
