6CBI
PCNA in complex with inhibitor
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 | 2015-07-08 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.260, 144.820, 174.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.086 - 2.750 |
R-factor | 0.2104 |
Rwork | 0.208 |
R-free | 0.25230 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.011 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.680 | 46.680 | 2.840 |
High resolution limit [Å] | 2.750 | 11.000 | 2.750 |
Rmerge | 0.196 | 0.048 | 1.899 |
Rmeas | 0.225 | 0.055 | 2.200 |
Rpim | 0.108 | 0.025 | 1.076 |
Total number of observations | 171431 | ||
Number of reflections | 47028 | 788 | 3891 |
<I/σ(I)> | 4.8 | ||
Completeness [%] | 91.0 | 90.2 | 81.9 |
Redundancy | 3.6 | 4.3 | 3.5 |
CC(1/2) | 0.980 | 0.994 | 0.206 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 2M ammonium sulfate 0.1M Tris pH8.0 |