4B7D
PikC 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 | ADSC QUANTUM 315r |
| Spacegroup name | P 1 |
| Unit cell lengths | 36.766, 58.042, 96.415 |
| Unit cell angles | 79.96, 79.52, 88.73 |
Refinement procedure
| Resolution | 93.370 - 1.890 |
| R-factor | 0.20273 |
| Rwork | 0.200 |
| R-free | 0.25747 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bvj |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.046 |
| 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] | 93.370 | 1.980 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.040 | 0.830 |
| Number of reflections | 59193 | |
| <I/σ(I)> | 7.8 | 1.4 |
| Completeness [%] | 94.2 | 87.8 |
| Redundancy | 1.8 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 296 | 20% PEG 3350, 0.05 M AMMONIUM SULFATE, 0.1 M TRIS HCL, PH 6.5, 23 DEGREES C |
