3B7M
Crystal structure of a meso-active thermo-stable cellulase (MT Cel12A) derived by making non-contiguous mutations in the active surface of the Cel12A cellulase of Rhodothermus marinus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU ULTRAX 18 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2007-07-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.398, 111.874, 133.707 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.420 - 2.100 |
R-factor | 0.18861 |
Rwork | 0.186 |
R-free | 0.23819 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h0b |
RMSD bond length | 0.009 |
RMSD bond angle | 1.129 |
Data reduction software | AUTOMAR |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 52326 | |
<I/σ(I)> | 12.5 | 3.1 |
Completeness [%] | 97.5 | 99.2 |
Redundancy | 3.53 | 3.38 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 0.2M Sodium dihydrogen phosphate monohydrate, 20% W/V PEG 3350, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |