4HAP
Crystal Structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with cellobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-05-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9173 |
Spacegroup name | P 1 |
Unit cell lengths | 52.260, 54.190, 72.450 |
Unit cell angles | 94.26, 96.02, 94.99 |
Refinement procedure
Resolution | 39.900 - 1.600 |
R-factor | 0.1467 |
Rwork | 0.144 |
R-free | 0.19060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gwa |
RMSD bond length | 0.021 |
RMSD bond angle | 2.009 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 71.795 | 39.905 | 1.690 |
High resolution limit [Å] | 1.600 | 5.060 | 1.600 |
Rmerge | 0.062 | 0.595 | |
Rmeas | 0.074 | 0.721 | |
Rpim | 0.040 | 0.400 | |
Total number of observations | 10698 | 42611 | |
Number of reflections | 96748 | ||
<I/σ(I)> | 7.6 | 15.5 | 2.2 |
Completeness [%] | 93.4 | 97 | 91.9 |
Redundancy | 3.3 | 3.4 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 289 | 0.1M Sodium Acetate, 15% w/v PEG 6000, 0.5M CaCl2, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |