1VLQ
Crystal structure of Acetyl xylan esterase (TM0077) from Thermotoga maritima at 2.10 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-05-02 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 152.640, 130.952, 157.815 |
Unit cell angles | 90.00, 118.93, 90.00 |
Refinement procedure
Resolution | 29.560 - 2.100 |
R-factor | 0.18554 |
Rwork | 0.184 |
R-free | 0.22336 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.477 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (4.2)) |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.560 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 293140 | |
<I/σ(I)> | 9.1 | 2.6 |
Completeness [%] | 93.0 | 67.2 |
Redundancy | 3.8 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 4.2 | 293 | 20% PEG-300, 10% glycerol, 0.1M Phosphate-citrate pH 4.2 0.2 M (NH4)2SO4 4.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 4.2 | 293 | 20% PEG-300, 10% glycerol, 0.1M Phosphate-citrate pH 4.2 0.2 M (NH4)2SO4 4.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 4.2 | 293 | 20% PEG-300, 10% glycerol, 0.1M Phosphate-citrate pH 4.2 0.2 M (NH4)2SO4 4.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K |