4I4O
BEL beta-trefoil apo crystal form 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-11-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.530, 66.830, 63.940 |
| Unit cell angles | 90.00, 96.10, 90.00 |
Refinement procedure
| Resolution | 29.579 - 1.120 |
| R-factor | 0.1513 |
| Rwork | 0.151 |
| R-free | 0.15970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i4p |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.146 |
| 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] | 63.600 | 1.180 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.032 | 0.092 |
| Number of reflections | 103662 | |
| <I/σ(I)> | 18 | 8.8 |
| Completeness [%] | 93.8 | 81.6 |
| Redundancy | 2.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris-HCl, 1.5 M ammonium sulfate, 10% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
