1TX0
Dihydropteroate Synthetase, With Bound Product Analogue Pteroic Acid, From Bacillus anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 97.547, 97.547, 263.158 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 81.700 - 2.150 |
R-factor | 0.23298 |
Rwork | 0.231 |
R-free | 0.27963 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tws |
RMSD bond length | 0.018 |
RMSD bond angle | 1.586 |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.700 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 38829 | |
<I/σ(I)> | 18.3 | 4.2 |
Completeness [%] | 100.0 | 94.4 |
Redundancy | 8 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | lithium sulfate, tris, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 291K |