2V3I
Hypocrea jecorina Cel7A in complex with (R)-dihydroxy-phenanthrenolol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-26 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 82.957, 82.934, 110.659 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.820 - 1.050 |
| R-factor | 0.12 |
| Rwork | 0.119 |
| R-free | 0.14000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dy4 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.771 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.800 | 1.070 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.110 | 0.360 |
| Number of reflections | 174883 | |
| <I/σ(I)> | 18.1 | 5.3 |
| Completeness [%] | 99.2 | 90 |
| Redundancy | 9.6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | POLYETHYLENE GLYCOL MONOMETHYL ETHER 5000, GLYCEROL, COBALT CHLORIDE, SODIUM ACETATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298 K |
