1RLJ
Structural Genomics, a Flavoprotein NrdI from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-19 |
| Detector | SBC-2 |
| Wavelength(s) | 0.97835 |
| Spacegroup name | P 62 |
| Unit cell lengths | 85.236, 85.236, 59.992 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.620 - 2.000 |
| R-factor | 0.192 |
| Rwork | 0.192 |
| R-free | 0.21700 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.800 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.082 | 0.420 |
| Number of reflections | 32842 | |
| <I/σ(I)> | 24.3 | 4.79 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.24 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 20% PEG 3350, 0.2M NH4I, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
