4DGD
TRIMCyp cyclophilin domain from Macaca mulatta: H70C mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-11 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.320, 55.950, 70.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.920 - 1.400 |
| R-factor | 0.138 |
| Rwork | 0.136 |
| R-free | 0.16830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wlw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.515 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.924 | 35.455 | 1.480 |
| High resolution limit [Å] | 1.400 | 4.430 | 1.400 |
| Rmerge | 0.026 | 0.344 | |
| Total number of observations | 3552 | 15123 | |
| Number of reflections | 28507 | ||
| <I/σ(I)> | 10.8 | 21.6 | 2.2 |
| Completeness [%] | 97.8 | 99.1 | 96.3 |
| Redundancy | 3.7 | 3.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 290 | 25% w/v PEG4000, 8% v/v propan-2-ol, 0.1 M sodium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
