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 |