3AY2
Crystal structure of Neisserial azurin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-10 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 |
| Unit cell lengths | 77.513, 77.513, 94.577 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.640 - 1.900 |
| R-factor | 0.19267 |
| Rwork | 0.191 |
| R-free | 0.22548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ag0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.148 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.060 | 0.397 |
| Number of reflections | 25438 | |
| <I/σ(I)> | 9.6 | 1.54 |
| Completeness [%] | 96.9 | 92.8 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 1.5M ammonium sulfate, 15% glycerol, 0.1M tris-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
