3B0G
Assimilatory nitrite reductase (Nii3) from tobbaco leaf
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-20 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 134.051, 134.051, 77.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.540 - 1.250 |
| R-factor | 0.1608 |
| Rwork | 0.160 |
| R-free | 0.16850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2akj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.218 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.290 |
| High resolution limit [Å] | 1.250 | 2.690 | 1.250 |
| Rmerge | 0.066 | 0.037 | 0.492 |
| Number of reflections | 193657 | ||
| Completeness [%] | 99.9 | 99.3 | 100 |
| Redundancy | 6.4 | 7 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 277 | PEG4000, Tris-HCl, MgCl2, MPD, pH 8.5, vapor diffusion, temperature 277K |
