4ML9
Crystal Structure of Uncharacterized TIM Barrel Protein with the Conserved Phosphate Binding Site fromSebaldella termitidis
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97895 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 127.475, 127.475, 91.013 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.869 - 1.841 |
| R-factor | 0.152 |
| Rwork | 0.151 |
| R-free | 0.17600 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.183 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.870 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 64381 | |
| <I/σ(I)> | 11.3 | 3.5 |
| Completeness [%] | 98.9 | 99.4 |
| Redundancy | 9.7 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.1 M magnesium chloride, 0.1 M MES pH 6.5, 30 %(w/v) PEG400, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
