1KCB
Crystal Structure of a NO-forming Nitrite Reductase Mutant: an Analog of a Transition State in Enzymatic Reaction
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6B |
| Synchrotron site | Photon Factory |
| Beamline | BL-6B |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-11-30 |
| Detector | FUJI |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 98.160, 98.160, 98.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 * - 1.650 |
| Rwork | 0.170 |
| R-free | 0.20400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1nie |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.520 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.690 |
| High resolution limit [Å] | 1.650 * | 1.650 |
| Rmerge | 0.052 | 0.250 |
| Total number of observations | 393521 * | |
| Number of reflections | 37954 * | |
| <I/σ(I)> | 48.2 | 3.7 |
| Completeness [%] | 99.9 * | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 15 * | ammonium sulfate, Potassium Phosphate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 2 | 1 | reservoir | phosphate | 0.1 (M) | pH4.0 |
| 3 | 1 | reservoir | ammonium sulfate | 33 (%sat) | |
| 4 | 1 | reservoir | MPD | 5 (%) |
