1XXX
Crystal structure of Dihydrodipicolinate Synthase (DapA, Rv2753c) from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-05-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.790, 87.370, 139.850 |
| Unit cell angles | 90.00, 107.78, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.280 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5k |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.628 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.320 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.085 | 0.192 |
| Number of reflections | 99893 | |
| <I/σ(I)> | 27.98 | 12.53 |
| Completeness [%] | 99.7 | 95 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 292 | 100 mM Tris-HCl, 28 % PEG 4000, 170 mM MgCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K, pH 8.50 |
