5F2M
Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes in complex with competitive inhibitor hexitol-1,6-bisphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.015 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.985, 107.837, 237.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.204 - 1.920 |
R-factor | 0.16 |
Rwork | 0.159 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mhf |
RMSD bond length | 0.009 |
RMSD bond angle | 1.102 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.204 | 2.070 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.082 | 0.325 |
Number of reflections | 120096 | |
<I/σ(I)> | 9.6 | 2.14 |
Completeness [%] | 95.0 | 86.3 |
Redundancy | 4.5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | Tris Acetate, Calcium Acetate, PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |