7BPC
Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum in complex with 2,5-DHBA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-10-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.769, 129.739, 140.557 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.770 - 2.450 |
R-factor | 0.1957 |
Rwork | 0.193 |
R-free | 0.24720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dvt |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.540 |
High resolution limit [Å] | 2.450 | 5.260 | 2.450 |
Rmerge | 0.182 | 0.107 | 0.804 |
Rmeas | 0.196 | 0.115 | 0.873 |
Rpim | 0.069 | 0.040 | 0.337 |
Total number of observations | 409878 | ||
Number of reflections | 53445 | 5633 | 5257 |
<I/σ(I)> | 5.3 | ||
Completeness [%] | 99.9 | 99.9 | 100 |
Redundancy | 7.7 | 8.3 | 6.5 |
CC(1/2) | 0.989 | 0.787 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 0.1 mol/L tri-potassium citrate, 20% (w/v) PEG 3350 and 10% (v/v) glycerol |