5L6T
CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A QUINOLINE OLIGOAMIDE FOLDAMER
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-09-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9801 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.490, 83.810, 79.850 |
Unit cell angles | 90.00, 99.98, 90.00 |
Refinement procedure
Resolution | 78.640 - 2.650 |
R-factor | 0.2233 |
Rwork | 0.220 |
R-free | 0.27820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2KS3 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.673 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (6.5.015) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.642 | 83.810 | 2.790 |
High resolution limit [Å] | 2.212 | 8.380 | 2.650 |
Rmerge | 0.073 | 0.412 | |
Number of reflections | 15030 | ||
<I/σ(I)> | 4.8 | 7 | 1.8 |
Completeness [%] | 89.8 | 85.5 | 92.3 |
Redundancy | 2.5 | 2.5 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | ZnOAc 0.2M NaCac 0.1 M PEG 8000 pH 7.1 NaN3 |