3PMP
Crystal Structure of Cyclophilin A from Moniliophthora perniciosa in complex with Cyclosporin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-25 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 104.028, 104.028, 61.305 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.410 - 1.470 |
| R-factor | 0.165 |
| Rwork | 0.164 |
| R-free | 0.18900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.559 | 1.550 |
| High resolution limit [Å] | 1.470 | 1.470 |
| Rmerge | 0.083 | 0.660 |
| Number of reflections | 57546 | |
| <I/σ(I)> | 14.2 | 1.1 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 291 | 1.8 M ammonium sulfate, 100 mM Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
