2BRT
ANTHOCYANIDIN SYNTHASE FROM ARABIDOPSIS THALIANA COMPLEXED with naringenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-05-01 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.807, 62.309, 102.493 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.220 - 2.200 |
R-factor | 0.211 |
Rwork | 0.208 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gp4 |
RMSD bond length | 0.025 |
RMSD bond angle | 1.887 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.310 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.610 |
Number of reflections | 18607 | |
<I/σ(I)> | 15.8 | 3.1 |
Completeness [%] | 98.0 | 99.5 |
Redundancy | 5.9 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 18% (W/V) PEG 2000 MONOMETHYLETHER, 50MM MES, 200MM AMMONIUM ACETATE, 2MM FESO4, 10MM POTASSIUM ALPHA-KETOGLUTARATE, 10MM SODIUM ASCORBATE, 2.5MM RACEMIC NARINGENIN IN 10% (V/V) MEOH, pH 6.50 |