3RXY
Crystal structure of NIF3 superfamily protein from Sphaerobacter thermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97903 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 187.770, 96.483, 128.470 |
| Unit cell angles | 90.00, 115.28, 90.00 |
Refinement procedure
| Resolution | 38.370 - 2.000 |
| R-factor | 0.2093 |
| Rwork | 0.209 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | different crystal form of the same protein solved by SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.150 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.132 | 0.687 |
| Number of reflections | 138727 | |
| <I/σ(I)> | 13.13 | 2.16 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | 0.1 M sodium acetate, 3.5 M sodium formate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
