3TR9
Structure of a dihydropteroate synthase (folP) in complex with pteroic acid from Coxiella burnetii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.877, 86.883, 158.159 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.442 - 1.895 |
| R-factor | 0.1743 |
| Rwork | 0.172 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aj0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.912 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.895 | 5.160 | 1.900 |
| Rmerge | 0.088 | 0.078 | 0.604 |
| Number of reflections | 95425 | ||
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 99.9 | 99.9 | 100 |
| Redundancy | 4.9 | 9.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 295 | 0.1M MES pH 5.0, 10% PEG 6000, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
