2PIC
E. coli lytic transglycosylase MltA-D308A in apo-2 form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.934 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 80.900, 80.900, 130.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 2.250 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ae0 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.135 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.330 |
High resolution limit [Å] | 2.250 | 4.840 | 2.250 |
Rmerge | 0.063 | 0.038 | 0.340 |
Number of reflections | 22884 | ||
<I/σ(I)> | 21.5 | ||
Completeness [%] | 93.9 | 98.7 | 66 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 298 | 0.25-0.35M NaCl, 10mM magnesium chloride, 100mM sodium acetate buffer, pH 4.2, vapor diffusion, hanging drop, temperature 298K |