4DFD
Crystal structure of had family enzyme bt-2542 (target efi-501088) from bacteroides thetaiotaomicron, magnesium complex
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 | 2011-12-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.731, 77.937, 116.166 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.18193 |
| Rwork | 0.180 |
| R-free | 0.22781 |
| Structure solution method | MR |
| Starting model (for MR) | 4dcc |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.289 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.970 | |
| Number of reflections | 39097 | |
| <I/σ(I)> | 7.1 | 1.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.9 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 0.1M CHES, PH 8.5, 30% PEG3K, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
