2ITB
CRYSTAL STRUCTURE OF A PUTATIVE TRNA-(MS(2)IO(6)A)-HYDROXYLASE (PP_2188) FROM PSEUDOMONAS PUTIDA KT2440 AT 2.05 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-08-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9740, 0.9799, 0.9798 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.274, 70.215, 84.285 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.796 - 2.050 |
R-factor | 0.174 |
Rwork | 0.171 |
R-free | 0.22900 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.599 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.796 | 28.800 | 2.100 |
High resolution limit [Å] | 2.000 | 9.170 | 2.050 |
Rmerge | 0.102 | 0.033 | 0.817 |
Total number of observations | 884 | 5935 | |
Number of reflections | 23439 | ||
<I/σ(I)> | 6.6 | 15.2 | 0.9 |
Completeness [%] | 99.9 | 96.7 | 99.9 |
Redundancy | 3.4 | 2.9 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 293 | 30.0% Ethylene-Glycol, 0.1M NaAcetate, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K |