3S1W
Transaldolase variant Lys86Ala from Thermoplasma acidophilum in complex with glycerol and citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-03 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 145.080, 168.670, 97.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.447 - 1.800 |
| R-factor | 0.1778 |
| Rwork | 0.176 |
| R-free | 0.20830 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3s0c |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.151 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.740 | 20.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 17.000 | 1.800 |
| Rmerge | 0.044 | 0.062 | 0.459 |
| Number of reflections | 110627 | 42 | 16435 |
| <I/σ(I)> | 25.62 | 5.14 | 3.88 |
| Completeness [%] | 99.7 | 70 | 99.9 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 4.5 | 291 | PEG 6000, GOL, pH 4.5, hanging drop, temperature 291K |
