2W3Z
Structure of a Streptococcus mutans CE4 esterase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | I 21 3 |
Unit cell lengths | 128.306, 128.306, 128.306 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.450 |
R-factor | 0.1647 |
Rwork | 0.165 |
R-free | 0.18530 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.707 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXD |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 1.500 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.040 | 0.290 |
Number of reflections | 61316 | |
<I/σ(I)> | 25.9 | 3.6 |
Completeness [%] | 99.1 | 98.7 |
Redundancy | 3.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 2.4 M NA/K PHOSPHATE, PH 5.6 |