4GNV
Crystal structure of beta-hexosaminidase 1 from Burkholderia cenocepacia J2315 with bound N-Acetyl-D-Glucosamine
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 | 2012-06-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.976484 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.970, 89.310, 67.150 |
Unit cell angles | 90.00, 91.73, 90.00 |
Refinement procedure
Resolution | 67.120 - 1.500 |
R-factor | 0.1493 |
Rwork | 0.148 |
R-free | 0.17550 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.456 |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.120 | 1.539 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.041 | 0.229 |
Number of reflections | 85727 | |
<I/σ(I)> | 28.22 | 4.57 |
Completeness [%] | 97.8 | 84.57 |
Redundancy | 6.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | EBS Internal tracking number 234629b12: BuceA.18451.a.B1.PW36254 at 20 mg/mL in 25 mM HEPES (pH 7.0), 500 mM NaCl, 2 mM DTT, 0.025% Sodium Azide, 5% glycerol. 0.4 uL x 0.4 uL drop with Morpheus Screen B12: 90 mM Halogens (NaF, NaBr, NaI), 0.1 M Tris/Bicine pH 8.5, 37.5% MPD-PEG1000-PEG3500, SOAK 1 week with 10 mM N-acetyl-D-glucosamine, VAPOR DIFFUSION, SITTING DROP, temperature 289K |