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 |
