2UXS
2.7A crystal structure of inorganic pyrophosphatase (Rv3628) from Mycobacterium tuberculosis at pH 7.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX10.1 |
Synchrotron site | SRS |
Beamline | PX10.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-05 |
Detector | MARRESEARCH |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 102.022, 102.022, 80.812 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.700 |
R-factor | 0.234 |
Rwork | 0.232 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1faj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.369 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.160 | 0.630 |
Number of reflections | 13447 | |
<I/σ(I)> | 6.1 | 1.5 |
Completeness [%] | 98.0 | 87 |
Redundancy | 5.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 2M AMMONIUM SULPHATE, 2% V/V PEG 400, 0.1M HEPES-NA, PH 7.5 |