3ZK5
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring 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 | 2013-01-11 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.419, 92.376, 69.251 |
| Unit cell angles | 90.00, 90.31, 90.00 |
Refinement procedure
| Resolution | 69.250 - 1.890 |
| R-factor | 0.20047 |
| Rwork | 0.197 |
| R-free | 0.26721 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b7s |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.928 |
| 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] | 92.380 | 1.990 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.110 | 0.640 |
| Number of reflections | 54311 | |
| <I/σ(I)> | 6.7 | 1.5 |
| Completeness [%] | 89.8 | 84.1 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.2 MGCL, 20% PEG 3350, pH 7.0 |
