2IMD
Structure of SeMet 2-hydroxychromene-2-carboxylate isomerase (HCCA isomerase)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-07-07 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 71.336, 76.051, 38.366 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.600 |
R-factor | 0.18887 |
Rwork | 0.187 |
R-free | 0.22562 |
Structure solution method | SAD plus SIR |
RMSD bond length | 0.020 |
RMSD bond angle | 1.901 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.044 | 0.291 |
Number of reflections | 34098 | |
<I/σ(I)> | 2.2 | |
Completeness [%] | 99.4 | |
Redundancy | 3.83 | 2.27 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 6.1 | 294 | crystallization solution: 1.2M sodium dihydrogen phosphate, 0.8M potassium hydrogen phosphate,0.2M lithium sulfate, 0.1M CAPS pH 6.1. Protein and crystallization solutions were mixed 1:1., microbatch under oil, temperature 294K |