4V1V
Heterocyclase in complex with substrate and Cofactor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Collection date | 2014-04-06 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.920, 152.870, 182.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.430 - 3.010 |
R-factor | 0.21379 |
Rwork | 0.211 |
R-free | 0.26614 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.971 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.430 | 3.090 |
High resolution limit [Å] | 3.010 | 3.010 |
Rmerge | 0.120 | 0.830 |
Number of reflections | 37339 | |
<I/σ(I)> | 11.4 | 2.1 |
Completeness [%] | 99.8 | 100 |
Redundancy | 5.4 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |