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 |