2W22
Activation Mechanism of Bacterial Thermoalkalophilic Lipases
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-21 |
Detector | ADSC CCD |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 73.070, 128.080, 127.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.180 - 2.200 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ji3 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.750 | 2.360 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.140 | 0.480 |
Number of reflections | 37406 | |
<I/σ(I)> | 8.9 | 2.5 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.1 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | SODIUM CITRATE 0.05 M, PH 5.6, MPD 13 % AND AMMONIUM ACETATE 0.2 M |