1SXV
1.3A Crystal structure of rv3628, Mycobacterium tuberculosis inorganic pyrophosphatase (PPase) at pH5.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2004-03-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93400 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 98.460, 98.460, 97.353 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 84.500 - 1.300 |
R-factor | 0.15514 |
Rwork | 0.154 |
R-free | 0.16945 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2prd |
RMSD bond length | 0.013 |
RMSD bond angle | 1.667 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.500 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.063 | 0.683 |
Number of reflections | 68086 | |
<I/σ(I)> | 32 | 3.15 |
Completeness [%] | 99.2 | 98.2 |
Redundancy | 8.2 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 1.7 M ammonium sulphate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |