3D8R
Thermus thermophilus Uroporphyrinogen III Synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-27 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 |
Unit cell lengths | 63.831, 63.831, 58.584 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.181 |
Rwork | 0.178 |
R-free | 0.23300 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.247 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
Rmerge | 0.086 | 0.053 | 0.425 |
Number of reflections | 19472 | ||
<I/σ(I)> | 14.4 | ||
Completeness [%] | 100.0 | 99.6 | 100 |
Redundancy | 7.6 | 7.2 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.2 M NaPO4, 0.8 M K2PO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |