6MJT
Azurin 122F/124W/126Re
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-10-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5406 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.910, 33.970, 77.260 |
| Unit cell angles | 90.00, 98.55, 90.00 |
Refinement procedure
| Resolution | 20.985 - 1.893 |
| R-factor | 0.2221 |
| Rwork | 0.221 |
| R-free | 0.24460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1azu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.307 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER (2.5.2) |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.393 | 38.393 | 2.000 |
| High resolution limit [Å] | 1.893 | 5.990 | 1.890 |
| Rmerge | 0.086 | 0.150 | |
| Rmeas | 0.077 | 0.115 | 0.193 |
| Rpim | 0.049 | 0.075 | 0.121 |
| Total number of observations | 46285 | 1496 | 6435 |
| Number of reflections | 19028 | 662 | 2625 |
| <I/σ(I)> | 9.6 | 13 | 5.1 |
| Completeness [%] | 93.8 | 95.5 | 88.8 |
| Redundancy | 2.4 | 2.3 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.5 | 294 | 0.1 M NaOAc, 120 mM/150 mM Li2SO4, and 48.6% PEG 400/27.7% PEG 8000 at pH 4.5 |
