3QN9
Crystal structure of a 6-pyruvoyltetrahydropterin synthase homologue from Esherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 6B |
Synchrotron site | PAL/PLS |
Beamline | 6B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-01-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.123 |
Spacegroup name | P 3 2 1 |
Unit cell lengths | 112.589, 112.589, 68.818 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.752 - 2.930 |
R-factor | 0.207 |
Rwork | 0.204 |
R-free | 0.26503 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oba |
RMSD bond length | 0.018 |
RMSD bond angle | 2.029 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 97.500 | 48.752 |
High resolution limit [Å] | 2.924 | 2.294 |
Rmerge | 0.231 | |
Number of reflections | 10571 | |
Completeness [%] | 94.8 | 94.8 |
Redundancy | 4.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.02M MgCl2, 0.1M HEPES pH7.5, Polyacryslic acid 5100 sodium salt, VAPOR DIFFUSION, HANGING DROP, temperature 291K |