5EX1
Crystal structure of cyclophilin AquaCyp300 from Hirschia baltica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-10-31 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.590, 103.180, 173.530 |
| Unit cell angles | 90.00, 91.16, 90.00 |
Refinement procedure
| Resolution | 88.682 - 2.053 |
| R-factor | 0.1746 |
| Rwork | 0.174 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cpl |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.917 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.682 | 2.180 |
| High resolution limit [Å] | 2.053 | 2.053 |
| Rmerge | 0.181 | 1.113 |
| Number of reflections | 110389 | |
| <I/σ(I)> | 11.4 | 2 |
| Completeness [%] | 99.1 | 93.4 |
| Redundancy | 6.5 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 10 % PEG20000, 20 % PEGMME550 in 0.03 M CaCl2, 0.03M MgCl2, 0.1 M Mops/Hepes-Na pH 7.5 |
