2D8D
Structure of Chorismate Mutase (Form I) from Thermus Thermophilus HB8
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 | CCD |
Collection date | 2005-06-22 |
Detector | MARRESEARCH |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 43.914, 48.728, 74.596 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.620 - 1.150 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ecm |
RMSD bond length | 0.005 |
RMSD bond angle | 1.000 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.190 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmerge | 0.067 | 0.539 |
Number of reflections | 56929 | |
<I/σ(I)> | 10.2 | 2.6 |
Completeness [%] | 98.6 | 94.1 |
Redundancy | 6.4 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 6.1 | 295 | PEG 4K, MES 0.1M, NaOH, Mg Chloride 0.05M, pH 6.1, microbatch, temperature 295K |