4F71
Crystal structure of had family enzyme bt-2542 (target efi-501088) from Bacteroides thetaiotaomicron, wild-type protein, complex with magnesium and inorganic phosphate
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 | 2012-02-22 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.595, 76.824, 118.086 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.270 |
| R-factor | 0.20805 |
| Rwork | 0.206 |
| R-free | 0.25807 |
| Structure solution method | MR |
| Starting model (for MR) | 4dcc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.903 |
| 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 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.675 | |
| Number of reflections | 24159 | |
| <I/σ(I)> | 13.4 | 2.7 |
| Completeness [%] | 96.4 | 99.2 |
| Redundancy | 7 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.2M SODIUM CHLORIDE, 0.1M BIS-TRIS, PH 6.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
