1YL7
the crystal structure of Mycobacterium tuberculosis dihydrodipicolinate reductase (Rv2773c) in complex with NADH (crystal form C)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-08-15 |
Detector | MARRESEARCH |
Wavelength(s) | 0.8042 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 238.600, 67.520, 154.490 |
Unit cell angles | 90.00, 117.08, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.340 |
R-factor | 0.18307 |
Rwork | 0.181 |
R-free | 0.23810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1P9L (MONOMER) |
RMSD bond length | 0.012 |
RMSD bond angle | 1.384 |
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 | 2.380 |
High resolution limit [Å] | 2.340 | 2.340 |
Rmerge | 0.091 | 0.301 |
Number of reflections | 80382 | |
<I/σ(I)> | 18.7 | 3.3 |
Completeness [%] | 86.6 | 76.6 |
Redundancy | 18.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 100 mM Tris/HCl, 26 % PEG 3350, 140 mM MgCl2 + 3 mM NADH in the protein solution, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |