4MT7
Crystal structure of collybistin I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2011-07-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.8726 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 82.930, 165.430, 129.120 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.893 - 3.500 |
| R-factor | 0.2228 |
| Rwork | 0.221 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.923 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 129.120 | 64.560 | 3.690 |
| High resolution limit [Å] | 3.500 | 11.070 | 3.500 |
| Rmerge | 0.025 | 0.714 | |
| Number of reflections | 11560 | ||
| <I/σ(I)> | 9.5 | 22.8 | 1.1 |
| Completeness [%] | 99.9 | 98.4 | 100 |
| Redundancy | 4.5 | 3.9 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM MES, 15% PEG 20000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
