4IPZ
SmBz bound to Cyclophilin A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-11-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 54.180, 64.600, 80.070 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.320 - 1.670 |
| R-factor | 0.1743 |
| Rwork | 0.172 |
| R-free | 0.21780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cwa |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.082 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.277 | 32.300 | 1.760 |
| High resolution limit [Å] | 1.670 | 5.270 | 1.670 |
| Rmerge | 0.029 | 0.562 | |
| Total number of observations | 3367 | 12572 | |
| Number of reflections | 16480 | ||
| <I/σ(I)> | 17.1 | 21.2 | 1.4 |
| Completeness [%] | 98.2 | 99.1 | 91.1 |
| Redundancy | 6 | 5.7 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 290 | 1M LiCl, 0.1M MES, 30% (w/v) PEG6000, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
