3PG9
Thermotoga maritima DAH7P synthase in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2010-07-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.610, 121.002, 133.379 |
| Unit cell angles | 90.00, 92.12, 90.00 |
Refinement procedure
| Resolution | 52.567 - 2.350 |
| R-factor | 0.1723 |
| Rwork | 0.171 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vr6 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.654 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | PHENIX ((phenix.refine: 1.6.1_357)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 52.567 | 3.720 | 2.480 |
| High resolution limit [Å] | 2.350 | 3.320 | 2.350 |
| Rmerge | 0.085 | 0.528 | |
| Number of reflections | 104678 | ||
| <I/σ(I)> | 7.2 | 1.4 | |
| Completeness [%] | 97.4 | 97.1 | 98.6 |
| Redundancy | 3 | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 20%(w/v) polyethylene glycol 3350, 0.2M ammonium nitrate, 0.02%(w/v) sodium azide, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
