3S6U
Caclcium-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) | 1.3778 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.834, 77.958, 96.318 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.780 - 2.700 |
R-factor | 0.1834 |
Rwork | 0.180 |
R-free | 0.24340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s6s |
RMSD bond length | 0.008 |
RMSD bond angle | 1.157 |
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 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 23262 | |
<I/σ(I)> | 14.9 | |
Completeness [%] | 99.2 | 98.6 |
Redundancy | 14.1 | 14.5 |
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 |