4B7S
PikC D50N mutant bound to the 10-DML analog with the 3-(N,N- dimethylamino)propanoate 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 | 2012-07-28 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.246, 92.023, 69.525 |
| Unit cell angles | 90.00, 90.48, 90.00 |
Refinement procedure
| Resolution | 61.240 - 1.840 |
| R-factor | 0.16887 |
| Rwork | 0.166 |
| R-free | 0.22420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4b7d |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.847 |
| 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] | 92.020 | 1.940 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.090 | 0.600 |
| Number of reflections | 63160 | |
| <I/σ(I)> | 8.3 | 1.5 |
| Completeness [%] | 94.4 | 69.4 |
| Redundancy | 3.9 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 2 M AMMONIUM SULFATE, 0.1 M BIS TRIS, PH 5.5 |
