3M81
Crystal structure of Acetyl xylan esterase (TM0077) from THERMOTOGA MARITIMA at 2.50 A resolution (native apo structure)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-02 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 103.460, 103.790, 221.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.795 - 2.500 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.21200 |
Structure solution method | MR |
Starting model (for MR) | 1vlq |
RMSD bond length | 0.017 |
RMSD bond angle | 1.469 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.795 | 48.795 | 2.560 |
High resolution limit [Å] | 2.500 | 11.180 | 2.500 |
Rmerge | 0.207 | 0.011 | 0.011 |
Number of reflections | 83045 | 1041 | 6082 |
<I/σ(I)> | 14.37 | 45.8 | 2.9 |
Completeness [%] | 100.0 | 98.5 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 277 | 0.2000M CaAcetate, 20.0000% PEG-3350, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |