1YRR
Crystal Structure Of The N-Acetylglucosamine-6-Phosphate Deacetylase From Escherichia Coli K12 at 2.0 A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-01-28 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 82.157, 114.554, 80.208 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.161 |
Rwork | 0.159 |
R-free | 0.19900 |
Structure solution method | SIRAS |
Starting model (for MR) | EXPERIMENTAL PHASES FROM AN IODINE SOAKED CRYSTAL |
RMSD bond length | 0.022 |
RMSD bond angle | 1.887 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.220 |
Number of reflections | 50702 | |
<I/σ(I)> | 14.1 | 4.27 |
Completeness [%] | 97.7 | 99.3 |
Redundancy | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 293 | sodium dihydrogenophosphate hydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 4.00 | |
1 | 4 | 293 | sodium dihydrogenophosphate hydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 4.00 | |
1 | 4 | 293 | sodium dihydrogenophosphate hydrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 4.00 |