1HAU
X-RAY STRUCTURE OF A BLUE COPPER NITRITE REDUCTASE AT HIGH PH AND IN COPPER FREE FORM AT 1.9 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-06-01 |
| Detector | FUJI |
| Spacegroup name | P 63 |
| Unit cell lengths | 80.978, 80.978, 99.781 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1NDT MONOMER |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.028 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.150 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.059 | 0.310 |
| Total number of observations | 87968 * | |
| Number of reflections | 26943 | 3559 * |
| <I/σ(I)> | 10.8 | 2.4 |
| Completeness [%] | 92.3 | 83.9 |
| Redundancy | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8.5 | 277 * | 30% PEG 4K, 0.1M MAGNESIUM CHLORIDE, 0.1M TRIS-HCL PH8.5, pH 8.50 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | PEG4000 | 25-30 (%) | |
| 2 | 1 | drop | 0.1 (M) | ||
| 3 | 1 | drop | Tris-HCl | 0.1 (M) | |
| 4 | 1 | drop | protein | 5 (mg/ml) |
