3N8K
Type II dehydroquinase from Mycobacterium tuberculosis complexed with citrazinic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-14 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 96.316, 137.208, 146.713 |
Unit cell angles | 90.00, 96.59, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.250 |
R-factor | 0.20636 |
Rwork | 0.205 |
R-free | 0.23612 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3n59 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.881 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.770 |
Number of reflections | 176635 |
Completeness [%] | 98.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 290 | MtDHQase protein was concentrated to 10-15 mg/mL prior to crystallization, using Amicon Ultra MWCO 5 KDa protein concentrators. MtDHQase crystals were grown in 4 uL drops composed of 5-7 mg/mL protein, 15% PEG monomethyl ether 2,000, 0.075 M KBr, 25 mM Tris, 50 mM NaCl, 0.5 mM DTT, 0.5 mM EDTA, pH 7.5 in microbatch plates covered with 5 mL Al s oil, Microbatch, temperature 290K |