1QCX
PECTIN LYASE B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 295 |
Detector technology | AREA DETECTOR |
Detector | XUONG-HAMLIN MULTIWIRE |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 83.700, 88.800, 42.284 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.700 |
R-factor | 0.162 |
Rwork | 0.162 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT AND HEAVY ATOMS |
Starting model (for MR) | FOR MOLECULAR REPLACEMENT: PARALLEL BETA HELIX OF PELE ALL AMINO ACIDS REPLACED WITH ALA UNLESS COMMON IN THE TWO PROTEINS; HEAVY ATOMS: PT HG |
RMSD bond length | 0.010 |
RMSD bond angle | 1.400 * |
Data reduction software | SDMS (SOFTWARE PACKAGE) |
Data scaling software | SDMS |
Phasing software | PHASES |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 100.000 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.054 * |
Total number of observations | 204035 * |
Number of reflections | 50124 |
<I/σ(I)> | 18.9 |
Completeness [%] | 73.8 |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.5 * | 4 * | pH 5.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | HEPES | 10 (mM) | |
2 | 1 | drop | protein | ||
3 | 1 | reservoir | citric acid | 0.1 (M) | |
4 | 1 | reservoir | ammonium sulfate | 1.6 (M) |