3ZPI
PikC D50N mutant in P21 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-02-02 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.085, 59.784, 91.267 |
| Unit cell angles | 90.00, 95.81, 90.00 |
Refinement procedure
| Resolution | 90.800 - 1.630 |
| R-factor | 0.17611 |
| Rwork | 0.174 |
| R-free | 0.21874 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zk5 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.138 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.800 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.060 | 0.560 |
| Number of reflections | 100874 | |
| <I/σ(I)> | 9.5 | 1.6 |
| Completeness [%] | 99.1 | 94.1 |
| Redundancy | 3.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 12% PEG3350, 5% TACSIMATE 5.5, 0.1 M NA/K TARTRATE |
