2Y5P
B-repeat of Listeria monocytogenes InlB (internalin B)
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MAR555 FLAT PANEL |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 28.610, 58.340, 158.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.000 - 1.300 |
R-factor | 0.15827 |
Rwork | 0.157 |
R-free | 0.19559 |
Structure solution method | MAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.024 |
RMSD bond angle | 2.097 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXD |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 1.330 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.070 | 0.720 |
Number of reflections | 66287 | |
<I/σ(I)> | 31.8 | 2.98 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 22.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 20 DEG C IN HANGING OR SITTING-DROPS WITH 2 UL PROTEIN (17.3 MG/ML) PLUS 1 UL RESERVOIR (0.1 M NA-ACETATE PH 5.0, 0.2 M CACL2, 18 % PEG 6000). | |
1 | VAPOR DIFFUSION | 293 | 20 DEG C IN HANGING OR SITTING-DROPS WITH 2 UL PROTEIN (17.3 MG/ML) PLUS 1 UL RESERVOIR (0.1 M NA-ACETATE PH 5.0, 0.2 M CACL2, 18 % PEG 6000). |