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 |