5Z99
Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi with Neu5Ac
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-07-07 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.368, 89.630, 90.787 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.518 - 1.494 |
R-factor | 0.1701 |
Rwork | 0.169 |
R-free | 0.19440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yyb |
RMSD bond length | 0.005 |
RMSD bond angle | 0.796 |
Data reduction software | d*TREK |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.520 | 19.520 | 1.520 |
High resolution limit [Å] | 1.490 | 8.180 | 1.490 |
Rmerge | 0.058 | 0.020 | 0.538 |
Rmeas | 0.063 | 0.021 | 0.591 |
Rpim | 0.024 | 0.008 | 0.237 |
Total number of observations | 604746 | 3887 | 23207 |
Number of reflections | 93977 | 617 | 4237 |
<I/σ(I)> | 19 | 93.4 | 4.9 |
Completeness [%] | 96.8 | 92 | 88.6 |
Redundancy | 6.4 | 6.3 | 5.5 |
CC(1/2) | 0.999 | 0.999 | 0.807 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 291 | 20mM MES, 60mM NaCl, 30% PEG 1500, pH 6.2 |