6A89
Crystal structure of the ternary complex of peptidoglycan recognition protein (PGRP-S) with Tartaric acid, Ribose and 2,6-DIAMINOPIMELIC ACID at 2.11 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-05-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9537 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 89.500, 101.370, 163.040 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 86.090 - 2.110 |
R-factor | 0.19365 |
Rwork | 0.191 |
R-free | 0.24884 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q8s |
RMSD bond length | 0.015 |
RMSD bond angle | 1.766 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 86.090 | 2.170 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.090 | 0.740 |
Rmeas | 0.100 | 0.810 |
Number of reflections | 42613 | |
<I/σ(I)> | 3.05 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 10% PEG 3350, 0.2M Sodium potassium tartarate |