4R3W
Crystal Structure Analysis of the 1,2,3-tricarboxylate benzoic acid bound to sp-ASADH-2'5'-ADP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.964, 98.444, 64.263 |
| Unit cell angles | 90.00, 102.43, 90.00 |
Refinement procedure
| Resolution | 62.760 - 1.910 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22892 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3pwk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.369 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Number of reflections | 49341 | ||
| <I/σ(I)> | 12.7 | 21.6 | 2.8 |
| Completeness [%] | 87.0 | ||
| Redundancy | 2.7 | 3.1 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 15-22% PEG, 0.1 M Na acetate, 0.1 M MES (pH 6.5), 10 mM TCEP, 3% Ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
