1E3B
CYCLOPHILIN 3 FROM C.ELEGANS COMPLEXED WITH AUP(ET)3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-09-17 |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 61.157, 61.157, 123.077 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.000 - 1.850 |
| R-factor | 0.1848 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | CYCLOPHILIN 3 NATIVE |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.022 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXL-97 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.068 | 0.253 |
| Total number of observations | 185907 * | |
| Number of reflections | 20154 | |
| <I/σ(I)> | 24.03 | 9.92 |
| Completeness [%] | 98.3 | 99.7 * |
| Redundancy | 4.12 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 * | HANGING DROP PH5.6 15.5% W/V MPEG 5000, 50 MM SODIUM CITRATE. WELL SOLUTION: 31% MPEG 5000, 100MM SODIUM CITRATE, pH 5.60 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 16 (mg/ml) | |
| 2 | 1 | drop | sodium citrate | 50 (mM) | |
| 3 | 1 | drop | mPEG5000 | 16-17.5 (%(w/v)) | |
| 4 | 1 | reservoir | sodium citrate | 100 (mM) | |
| 5 | 1 | reservoir | mPEG5000 | 32-35 (%(w/v)) |
