5ZA4
Crystal structure of Sialic acid Binding protein from Haemophilus ducreyi
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 | 2006-11-20 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.0396 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.934, 79.283, 68.412 |
| Unit cell angles | 90.00, 91.21, 90.00 |
Refinement procedure
| Resolution | 29.429 - 2.193 |
| R-factor | 0.2061 |
| Rwork | 0.203 |
| R-free | 0.26150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5z99 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.954 |
| 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] | 29.430 | 29.430 | 2.260 |
| High resolution limit [Å] | 2.190 | 9.040 | 2.190 |
| Rmerge | 0.178 | 0.064 | 1.175 |
| Rmeas | 0.209 | 0.076 | 1.382 |
| Rpim | 0.108 | 0.040 | 0.720 |
| Total number of observations | 90314 | 1194 | 7117 |
| Number of reflections | 24030 | 350 | 1961 |
| <I/σ(I)> | 7 | 17.4 | 3 |
| Completeness [%] | 99.5 | 96.5 | 94.9 |
| Redundancy | 3.8 | 3.4 | 3.6 |
| CC(1/2) | 0.985 | 0.994 | 0.370 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.2M Sodium Iodide 20% w/v PEG 3350 |
