3N2J
Azurin H117G, oxidized form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.545, 170.008, 85.737 |
| Unit cell angles | 90.00, 89.98, 90.00 |
Refinement procedure
| Resolution | 47.280 - 1.350 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.20180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4azu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.340 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.9.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.450 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.084 | 0.377 |
| Number of reflections | 273202 | |
| <I/σ(I)> | 7.6 | 2.6 |
| Completeness [%] | 91.9 | 88.8 |
| Redundancy | 2.79 | 2.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 293 | 31 % PEG 2000 MME 0.1 M Tris/HCl pH 8.7 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
