3COV
Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.5 Ang resolution- apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-26 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.973 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.270, 70.920, 81.870 |
Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
Resolution | 47.670 - 1.500 |
R-factor | 0.17107 |
Rwork | 0.170 |
R-free | 0.19547 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mop |
RMSD bond length | 0.013 |
RMSD bond angle | 1.395 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.059 | 0.341 |
Number of reflections | 86488 | |
<I/σ(I)> | 13.1 | |
Completeness [%] | 99.7 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12-14% PEG3000, 100-150 mM Li2SO4, 100 mM imidazole, 2-4% v/v ethanol, 5-10% v/v glycerol and 20 mM MgCl2., pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |