4N0K
Atomic resolution crystal structure of a cytochrome c-calixarene complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-01-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.110, 55.780, 119.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.390 - 1.050 |
| R-factor | 0.15813 |
| Rwork | 0.157 |
| R-free | 0.17976 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3tyi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.266 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.390 | 1.110 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.113 | 0.962 |
| Number of reflections | 107285 | |
| <I/σ(I)> | 9.1 | 1.8 |
| Completeness [%] | 94.9 | 100 |
| Redundancy | 6 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293.15 | 18 % PEG 8000, 50 mM NaCl, 100 mM MgCl2, 50 mM sodium cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
