3OKR
Structure of Mtb apo 2-C-methyl-D-erythritol 4-phosphate cytidyltransferase (IspD)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97948 |
| Spacegroup name | P 1 |
| Unit cell lengths | 56.081, 60.268, 74.512 |
| Unit cell angles | 104.18, 110.52, 88.68 |
Refinement procedure
| Resolution | 25.055 - 2.400 |
| R-factor | 0.2133 |
| Rwork | 0.210 |
| R-free | 0.27750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h3m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.257 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.059 | 0.348 |
| Number of reflections | 33622 | |
| <I/σ(I)> | 9.7 | 2.6 |
| Completeness [%] | 96.3 | 94.1 |
| Redundancy | 3.5 | 3.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 0.056 M Sodium phosphate monobasic monohydrate 1.344 M Potassium phosphate dibasic (pH 8.2), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
