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 |