2CKR
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF THERMOBIFIDA FUSCA ENDOGLUCANASE CEL5A (E5) E355Q IN COMPLEX WITH CELLOTETRAOSE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-09-29 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.365, 70.850, 76.278 |
Unit cell angles | 90.00, 93.86, 90.00 |
Refinement procedure
Resolution | 32.110 - 1.770 |
R-factor | 0.1602 |
Rwork | 0.158 |
R-free | 0.19303 |
Structure solution method | OTHER |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.100 | 1.820 |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.080 | 0.410 |
Number of reflections | 50412 | |
<I/σ(I)> | 11.7 | 2.9 |
Completeness [%] | 98.8 | 99.7 |
Redundancy | 2.3 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | PROTEIN WAS CRYSTALLISED USING THE HANGING DROP VAPOUR DIFFUSION METHOD BY MIXING 2 MICROLITER OF WELL SOLUTION CONTAINING 10% PEG 8000, 0.1 M HEPES PH 7.0, 0.1 M NA ACETATE, 5MM ZN ACETATE WITH 2 MICROLITER 1MG/ML PROTEIN SOLUTION AND 0.5 MICROLITER OF 20% BENZAMIDINE |