3I5T
CRYSTAL STRUCTURE OF AMINOTRANSFERASE PRK07036 FROM Rhodobacter sphaeroides KD131
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2009-06-26 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 |
Unit cell lengths | 55.129, 63.280, 69.752 |
Unit cell angles | 103.79, 100.76, 107.08 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.18227 |
Rwork | 0.181 |
R-free | 0.23440 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.209 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.240 | |
Number of reflections | 57197 | |
<I/σ(I)> | 8.7 | 2.8 |
Completeness [%] | 88.0 | 71.6 |
Redundancy | 1.6 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 100MM BIS-TRIS-HCL, PH 5.5, 25% PEG3350, 200MM MAGNESIUM CHLORIDE HEXAHYDRATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |