2J7L
E. coli P Pilus chaperone PapD in complex with a pilus biogenesis inhibitor, pilicide 2c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-02-25 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 94.315, 94.315, 121.992 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 15.000 - 2.600 |
| R-factor | 0.2324 |
| Rwork | 0.232 |
| R-free | 0.27260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qpp |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.255 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.090 | 0.430 |
| Number of reflections | 20651 | |
| <I/σ(I)> | 23.4 | 7.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.7 | 14.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 16 % PEG 4000, 100MM TRIS HCL PH 8.5 AND 200 MM LI2SO4 |
