4C4C
Michaelis complex of Hypocrea jecorina CEL7A E217Q mutant with cellononaose spanning the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-22 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 82.820, 83.030, 110.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.380 - 1.450 |
| R-factor | 0.17144 |
| Rwork | 0.170 |
| R-free | 0.19584 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cel |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.243 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.380 | 1.500 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.040 | 0.130 |
| Number of reflections | 64094 | |
| <I/σ(I)> | 20.7 | 8.5 |
| Completeness [%] | 99.5 | 97.9 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 0.1 M MES (PH 6.0), 20% MONOMETHYL ETHER PEG 5000, 0.01 M COCL2, 12% GLYCEROL., VAPOR DIFFUSION - HANGING DROP |
