4V1U
Heterocyclase in complex with substrate and Cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-09 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.800, 152.810, 182.840 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.400 - 2.860 |
R-factor | 0.2035 |
Rwork | 0.201 |
R-free | 0.25122 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bs9 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.913 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.400 | 2.930 |
High resolution limit [Å] | 2.860 | 2.860 |
Rmerge | 0.120 | 0.900 |
Number of reflections | 42149 | |
<I/σ(I)> | 11.1 | 2 |
Completeness [%] | 97.5 | 98.5 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |