4S1O
Structure of Mycobacterium tuberculosis NadD in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 66.060, 66.060, 165.210 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.030 - 1.840 |
| R-factor | 0.1961 |
| Rwork | 0.194 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e27 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.611 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.030 | 47.030 | 1.890 |
| High resolution limit [Å] | 1.840 | 8.230 | 1.840 |
| Rmerge | 0.090 | 0.048 | 1.016 |
| Number of reflections | 37134 | 483 | 2709 |
| <I/σ(I)> | 13.57 | 28.88 | 2.29 |
| Completeness [%] | 99.9 | 98.4 | 100 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2M magnesium nitrate, 20% PEG3350, pH 7.5, vapor diffusion, hanging drop, temperature 298K |
