4DCC
Crystal structure of had family enzyme bt-2542 from bacteroides thetaiotaomicron (target efi-501088)
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 | I 21 21 21 |
| Unit cell lengths | 50.252, 75.424, 131.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.650 |
| R-factor | 0.1774 |
| Rwork | 0.176 |
| R-free | 0.21016 |
| Structure solution method | MR |
| Starting model (for MR) | 2i6x |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.304 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.670 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.900 | |
| Number of reflections | 30924 | |
| <I/σ(I)> | 7.8 | 1.2 |
| Completeness [%] | 98.6 | 98.1 |
| Redundancy | 9.8 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 1.6M SODIUM ACETATE, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
