4I4R
BEL beta-trefoil apo crystal form 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-22 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.420, 70.030, 71.830 |
| Unit cell angles | 90.00, 106.84, 90.00 |
Refinement procedure
| Resolution | 24.635 - 1.770 |
| R-factor | 0.1786 |
| Rwork | 0.176 |
| R-free | 0.21970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.060 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.2_869)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.074 | 0.355 |
| Number of reflections | 59260 | |
| <I/σ(I)> | 12.2 | 3.2 |
| Completeness [%] | 98.0 | 97 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl, 0.2 M magnesium chloride, 25% PEG4000, 0.2 M 1-butyl-3-methylimidazolium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
