2DQW
Crystal Structure of Dihydropteroate Synthase (FolP) from Thermus thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-05-21 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 109.994, 109.994, 88.321 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.880 - 1.650 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eye |
RMSD bond length | 0.005 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.710 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.058 | 0.494 |
Number of reflections | 72756 | |
<I/σ(I)> | 17.7 | 2.8 |
Completeness [%] | 99.8 | 100 |
Redundancy | 9.5 | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.8 | 295 | PEG 20000, Mes, NaOH, pH 5.8, microbatch, temperature 295K |