4UMZ
PikC D50N mutant in complex with the engineered substrate mimic bearing a 2-dimethylaminomethylbenzoate 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 | 2014-03-26 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.061, 110.703, 151.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 62.630 - 2.320 |
| R-factor | 0.1928 |
| Rwork | 0.190 |
| R-free | 0.24451 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vzm |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.769 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 151.620 | 2.450 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.120 | 0.710 |
| Number of reflections | 40952 | |
| <I/σ(I)> | 7.3 | 1.5 |
| Completeness [%] | 93.5 | 69.9 |
| Redundancy | 4.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 4% TACSIMATE, PH 5.5, 16% PEG3350, 0.1M NA CITRATE, PH 5.6 |
