4BF4
PikC D50N mutant in complex with the engineered cycloalkane substrate mimic bearing a termianl N,N-dimethylamino 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 | 2012-09-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 110.273, 130.113, 134.898 |
| Unit cell angles | 66.48, 70.25, 72.23 |
Refinement procedure
| Resolution | 119.840 - 2.700 |
| R-factor | 0.20009 |
| Rwork | 0.196 |
| R-free | 0.27903 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bvj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.464 |
| 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] | 119.840 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.110 | 0.460 |
| Number of reflections | 169609 | |
| <I/σ(I)> | 5.9 | 1.5 |
| Completeness [%] | 97.4 | 96.9 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 27% PEG3350, 0.2 M LI SULFATE, 0.1 M NA CACODILATE, PH 6.5 |
