3ZL1
A thiazolyl-mannoside bound to FimH, monoclinic space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Collection date | 2012-02-29 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.880, 68.890, 95.050 |
Unit cell angles | 90.00, 96.94, 90.00 |
Refinement procedure
Resolution | 47.177 - 1.551 |
R-factor | 0.2316 |
Rwork | 0.230 |
R-free | 0.26240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4auu |
RMSD bond length | 0.008 |
RMSD bond angle | 1.395 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | BUSTER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.200 | 1.650 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.120 | 0.750 |
Number of reflections | 183542 | |
<I/σ(I)> | 0 | 2.09 |
Completeness [%] | 99.2 | 97.5 |
Redundancy | 6.4 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 M NACL, 0.1 M TRIS PH 7.5, 11 % (W/V) PEG 4000 |