3S6V
Manganese-bound Ac-ASP-7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.378 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.047, 78.688, 95.332 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.930 - 2.600 |
| R-factor | 0.1932 |
| Rwork | 0.190 |
| R-free | 0.25920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s6s |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.180 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX (automr (Phaser)) |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 25918 | |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 14.1 | 13.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 20% MPD, 0.1 M TRIS, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
