1UU4
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH CELLOBIOSE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-10-05 |
Detector | ADSC CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 49.309, 49.309, 166.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.260 - 1.490 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.16100 |
Structure solution method | OTHER |
RMSD bond length | 0.007 |
RMSD bond angle | 1.257 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.140 | 1.520 |
High resolution limit [Å] | 1.491 | 1.490 |
Rmerge | 0.120 | 0.377 |
Number of reflections | 34605 | |
<I/σ(I)> | 17.6 | 4.8 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.1 | CRYSTALS GREW FROM A PROTEIN STOCK SOLUTION CONTAINING 1MG/ML PROTEIN IN 0.05 M BIS TRIS PROPANE AND 0.05 M AMMONIUM ACETATE, PH 8 CRYSTALS WERE CRYOPROTECTED IN UNBUFFERED 50% MME PEG 2000 |