5II8
Orthorhombic crystal structure of red abalone lysin at 0.99 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.88560 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.210, 51.050, 80.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.422 - 0.990 |
R-factor | 0.1669 |
Rwork | 0.164 |
R-free | 0.19110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ii7 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.386 |
Data reduction software | XDS (20141118) |
Data scaling software | XDS (20141118) |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2398: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.422 | 1.010 |
High resolution limit [Å] | 0.990 | 0.990 |
Rmerge | 0.053 | 2.006 |
Number of reflections | 101171 | |
<I/σ(I)> | 11.6 | 1.1 |
Completeness [%] | 94.1 | 87.44 |
Redundancy | 4.89 | 4.86 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.65 M ammonium sulfate, 0.2 M NaCl, 0.1 M CHES |