6DI8
Crystal structure of bovine alpha-chymotrypsin in space group P65
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-02-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 65 |
Unit cell lengths | 126.810, 126.810, 122.030 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.132 - 1.859 |
R-factor | 0.1904 |
Rwork | 0.189 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4q2k |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.5.17) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX ((dev_3084)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.550 | 29.550 | 1.890 |
High resolution limit [Å] | 1.860 | 10.180 | 1.860 |
Rmerge | 0.119 | 0.042 | 1.924 |
Rmeas | 0.126 | 0.045 | 2.083 |
Rpim | 0.041 | 0.014 | 0.779 |
Total number of observations | 868057 | 5523 | 31308 |
Number of reflections | 93385 | 579 | 4606 |
<I/σ(I)> | 12.2 | 29.3 | 1 |
Completeness [%] | 100.0 | 96.3 | 99.7 |
Redundancy | 9.3 | 9.5 | 6.8 |
CC(1/2) | 0.998 | 0.999 | 0.383 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | Protein (lyophilized powder, Worthington, code: CDTLCK) was dissolved in 0.1 M HEPES (pH 7.0) to a final concentration of 20mg/mL. Crystallisation condition was 2 M ammonium sulphate, with equal volume (1 uL) of protein and reservoir solution in the drop |