4O29
PROTEIN-L-ISOASPARTATE O-METHYLTRANSFERASE from Pyrobaculum aerophilum in COMPLEX WITH S-ADENOSYL-L-HOMOCYSTEINE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-04-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9789 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 73.720, 35.670, 66.290 |
Unit cell angles | 90.00, 100.31, 90.00 |
Refinement procedure
Resolution | 65.220 - 2.900 |
R-factor | 0.2149 |
Rwork | 0.210 |
R-free | 0.26090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jg1 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.758 |
Data scaling software | XSCALE |
Phasing software | EPMR (2.5) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.220 | 2.970 | |
High resolution limit [Å] | 2.900 | 12.960 | 2.900 |
Rmerge | 0.171 | 0.063 | 0.651 |
Number of reflections | 3881 | 49 | 264 |
<I/σ(I)> | 7.99 | 13.34 | 1.79 |
Completeness [%] | 98.9 | 94.2 | 88.9 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 70% MPD, 0.1M HEPES pH 7.5, vapor diffusion, hanging drop, temperature 298K |