3N3U
Crystal Structure of IbpAFic2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 64.380, 64.380, 149.689 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.471 - 1.846 |
| R-factor | 0.213 |
| Rwork | 0.212 |
| R-free | 0.24200 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.682 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.5_2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.044 | 0.606 |
| Number of reflections | 31631 | |
| <I/σ(I)> | 14.7 | 3 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 11.2 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG 550 MME, MES, ZnSO4, pH 6.5, temperature 277K, VAPOR DIFFUSION, SITTING DROP |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG 550 MME, MES, ZnSO4, pH 6.5, temperature 277K, VAPOR DIFFUSION, SITTING DROP |
