2H6R
Crystal Structure of triosephosphate isomerase (TIM) from Methanocaldococcus jannaschii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-20 |
Detector | MAC Science DIP-2040 |
Wavelength(s) | 0.9 |
Spacegroup name | P 31 |
Unit cell lengths | 139.340, 139.340, 80.890 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.280 - 2.300 |
R-factor | 0.213 |
Rwork | 0.213 |
R-free | 0.27800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hg3 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.094 | 0.261 |
Number of reflections | 76266 | |
<I/σ(I)> | 20.15 | 6.3 |
Completeness [%] | 96.3 | |
Redundancy | 14.26 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 8 | 291 | 30% PEG 3350, 0.2M Magnesium chloride, 0.1M Tris pH 8.0, microbatch, temperature 291K |