3L21
The crystal structure of a dimeric mutant of dihydrodipicolinate synthase (DAPA, RV2753C) from Mycobacterium Tuberculosis - DHDPS-A204R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 188.830, 188.830, 130.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.510 - 2.100 |
| R-factor | 0.17926 |
| Rwork | 0.178 |
| R-free | 0.20389 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Wild-type M. tuberculosis DHDPS PDB ENTRY 1XXX |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.520 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.052 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.118 | 0.589 |
| Number of reflections | 155951 | |
| <I/σ(I)> | 14.1 | 2.5 |
| Completeness [%] | 99.2 | 97.6 |
| Redundancy | 4.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 2.0M ammonium sulfate, 100mM sodium acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
