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 |