4P1H
Crystal structure of wild type Hypocrea jecorina Cel7a in a monoclinic crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 152.459, 44.904, 57.567 |
| Unit cell angles | 90.00, 101.25, 90.00 |
Refinement procedure
| Resolution | 74.770 - 1.500 |
| R-factor | 0.16011 |
| Rwork | 0.159 |
| R-free | 0.18977 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v3i |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.144 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.770 | 40.000 | 1.540 |
| High resolution limit [Å] | 1.500 | 3.430 | 1.500 |
| Rmerge | 0.070 | 0.049 | 0.328 |
| Total number of observations | 195520 | ||
| Number of reflections | 59300 | ||
| <I/σ(I)> | 16 | ||
| Completeness [%] | 96.6 | 95.1 | 85.6 |
| Redundancy | 3.3 | 3.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 308 | PEG3350, Benzamidine, Gadolinium(III) chloride hexahydrate, HEPES |
