4U59
Crystal structure of Salmonella alpha-2-macroglobulin reacted with methylamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-07-25 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.8726 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 254.960, 82.230, 98.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.732 - 3.090 |
R-factor | 0.2339 |
Rwork | 0.231 |
R-free | 0.28200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4u48 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.684 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.732 | 3.170 | |
High resolution limit [Å] | 3.090 | 13.820 | 3.090 |
Rmerge | 0.135 | 0.027 | 1.132 |
Rmeas | 0.145 | 0.030 | 1.215 |
Total number of observations | 289600 | ||
Number of reflections | 39003 | 498 | 2851 |
<I/σ(I)> | 13.38 | 47.23 | 2.05 |
Completeness [%] | 100.0 | 96.7 | 100 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 7% PEG 4000, 0.1 M sodium acetate pH 5.2 |