6AC2
Crystal Structure of HEWL at pH 2.2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.130, 78.130, 36.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.250 - 1.230 |
R-factor | 0.15864 |
Rwork | 0.157 |
R-free | 0.18418 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dpx |
RMSD bond length | 0.034 |
RMSD bond angle | 2.797 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.250 | 1.300 |
High resolution limit [Å] | 1.230 | 1.230 |
Rmerge | 0.069 | |
Number of reflections | 33801 | |
<I/σ(I)> | 13.8 | |
Completeness [%] | 100.0 | |
Redundancy | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 292 | 0.1 M Sodium acetate pH 4.6 and 2 M NaCl |