6F87
Crystal structure of P. abyssi Sua5 complexed with L-threonine and PPi
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-12-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.980110 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 150.440, 144.070, 103.660 |
Unit cell angles | 90.00, 103.06, 90.00 |
Refinement procedure
Resolution | 49.030 - 2.620 |
R-factor | 0.1781 |
Rwork | 0.175 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eqa |
RMSD bond length | 0.015 |
RMSD bond angle | 1.783 |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.030 | 2.780 |
High resolution limit [Å] | 2.620 | 2.620 |
Rmeas | 0.071 | 0.690 |
Number of reflections | 64452 | 10212 |
<I/σ(I)> | 14.14 | 2.11 |
Completeness [%] | 99.4 | 97.7 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | ammonium sulfate |