3HN7
Crystal structure of a murein peptide ligase mpl (psyc_0032) from psychrobacter arcticus 273-4 at 1.65 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-18 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97932,0.97920 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 105.452, 52.755, 89.986 |
Unit cell angles | 90.00, 98.47, 90.00 |
Refinement procedure
Resolution | 29.025 - 1.650 |
R-factor | 0.156 |
Rwork | 0.154 |
R-free | 0.18700 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.594 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.025 | 29.030 | 1.690 |
High resolution limit [Å] | 1.650 | 7.380 | 1.650 |
Rmerge | 0.076 | 0.047 | 0.512 |
Total number of observations | 2125 | 14302 | |
Number of reflections | 59026 | ||
<I/σ(I)> | 7.479 | 12.6 | 1.5 |
Completeness [%] | 100.0 | 97.9 | 100 |
Redundancy | 3.3 | 3.1 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2000M NaOAc, 30.0000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |