3TFW
Crystal structure of a putative O-methyltransferase from Klebsiella pneumoniae
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 | 2010-11-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.285, 95.305, 56.275 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.880 |
| R-factor | 0.20602 |
| Rwork | 0.204 |
| R-free | 0.24400 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.062 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX (& Arp/Warp) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.084 | 0.530 |
| Number of reflections | 38046 | |
| <I/σ(I)> | 11 | |
| Completeness [%] | 99.5 | 95.1 |
| Redundancy | 14.1 | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 1.2% w/v n-Octyl-b-D-glucoside, 0.2M Ammonium Sulphate and 30% w/v Polyethylene glycol 8,000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
