4XUK
Crystal structure of hydrolase AbOPH in beta lactamase superfamily
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-09-17 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.812, 82.735, 99.767 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.836 - 2.000 |
R-factor | 0.2058 |
Rwork | 0.204 |
R-free | 0.23810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4le6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.224 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.063 | 0.036 | 0.187 |
Rmeas | 0.066 | 0.038 | 0.196 |
Rpim | 0.019 | 0.012 | 0.057 |
Total number of observations | 515255 | ||
Number of reflections | 43098 | ||
<I/σ(I)> | 28.3 | ||
Completeness [%] | 98.6 | 94.6 | 99.1 |
Redundancy | 12 | 11.2 | 11.6 |
CC(1/2) | 0.999 | 0.989 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.12 M Monosaccharides(0.2 M D-glucose, 0.2 M D-mannose,0.2 M D-galactose, 0.2 M L-fucose, 0.2 M D-xylose, 0.2 M N-acetyl-D-glucosamine), 0.1 M Buffer system 1(1M MES/Imidazole), pH 6.5, 12.5% (w/v) PEG1000, 12.5% (w/v) PEG3350, 12.5% (v/v) MPD |