1V9A
Crystal structure of Uroporphyrin-III C-methyl transferase from Thermus thermophilus complexed with S-adenyl homocysteine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-12-08 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.982, 63.810, 132.422 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.500 - 2.000 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cbf |
RMSD bond length | 0.009 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.500 | 2.000 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.072 | 0.486 |
Number of reflections | 38702 | |
<I/σ(I)> | 15.1 | 3.03 |
Completeness [%] | 99.6 | 100 |
Redundancy | 3.97 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 291 | Citrate, PEG 20000, pH 5.3, VAPOR DIFFUSION, SITTING DROP, temperature 291K |