3SFW
Crystal structure of dihydropyrimidinase from Brevibacillus agri NCHU1002
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL17B2 |
Synchrotron site | NSRRC |
Beamline | BL17B2 |
Temperature [K] | 77 |
Detector technology | IMAGE PLATE |
Collection date | 2004-10-08 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 65.807, 109.112, 140.984 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.730 |
R-factor | 0.14874 |
Rwork | 0.147 |
R-free | 0.18958 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k1d |
RMSD bond length | 0.018 |
RMSD bond angle | 1.412 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.790 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 100472 | |
Completeness [%] | 99.6 | 92.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M Na-Acetate, 32% MPD, 0.04M CaCl2, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |