1ZMB
Crystal Structure of the Putative Acetylxylan Esterase from Clostridium acetobutylicum, Northeast Structural Genomics Target CaR6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-06 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97914 |
Spacegroup name | P 1 |
Unit cell lengths | 70.999, 87.936, 103.510 |
Unit cell angles | 106.50, 100.22, 113.80 |
Refinement procedure
Resolution | 29.310 - 2.610 |
R-factor | 0.243 |
Rwork | 0.243 |
R-free | 0.26900 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.088 | 0.375 |
Number of reflections | 118658 | |
<I/σ(I)> | 14.04 | 3 |
Completeness [%] | 95.0 | 92.4 |
Redundancy | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM MES, 10% PEG 20K, and 5 mM DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |