4I4Q
BEL beta-trefoil apo crystal form 3
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) | 1.00000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 77.744, 77.744, 52.772 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 16.832 - 1.510 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.21520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4p |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.127 |
| 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] | 16.832 | 1.560 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.075 | 0.262 |
| Number of reflections | 29039 | |
| <I/σ(I)> | 3.9 | 1.3 |
| Completeness [%] | 96.8 | 89.5 |
| Redundancy | 5.2 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M sodium cacodylate, 0.2 magnesium acetate, 20% PEG8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
