6N80
S. aureus ClpP bound to anti-4a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-21 |
Detector | MARRESEARCH |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 94.332, 126.115, 145.461 |
Unit cell angles | 90.00, 93.80, 90.00 |
Refinement procedure
Resolution | 43.241 - 1.960 |
R-factor | 0.1726 |
Rwork | 0.171 |
R-free | 0.20060 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.7.17) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.990 |
High resolution limit [Å] | 1.960 | 5.320 | 1.960 |
Rmerge | 0.158 | 0.133 | 0.809 |
Rmeas | 0.176 | 0.148 | 0.959 |
Rpim | 0.076 | 0.063 | 0.503 |
Total number of observations | 1165384 | ||
Number of reflections | 245159 | 12566 | 10920 |
<I/σ(I)> | 10 | ||
Completeness [%] | 99.0 | 99.5 | 88.7 |
Redundancy | 4.8 | 5.1 | 3.1 |
CC(1/2) | 0.970 | 0.355 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.5 | 291.15 | 0.1 M NaOAc pH 4.5, 18-35% MPD, and 0.02 M CaCl2 |