4YHQ
Crystal structure of multidrug resistant clinical isolate PR20 with GRL-5010A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-21 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.8 |
Spacegroup name | P 61 |
Unit cell lengths | 60.303, 60.303, 86.141 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.300 |
R-factor | 0.15732 |
Rwork | 0.155 |
R-free | 0.20986 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ucb |
RMSD bond length | 0.028 |
RMSD bond angle | 2.749 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.350 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.052 | 0.409 |
Number of reflections | 41329 | |
<I/σ(I)> | 28.5 | 3.4 |
Completeness [%] | 94.6 | |
Redundancy | 5.9 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.15M sodium chloride, 0.1M sodium acetate pH 5.5 and 0.01M Yittrium chloride |