5C18
p97-delta709-728 in complex with ATP-gamma-S
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9797 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 140.330, 180.059, 255.612 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.990 - 3.300 |
R-factor | 0.2129 |
Rwork | 0.211 |
R-free | 0.24880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cf3 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.718 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.8) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.180 | 49.180 | 3.360 |
High resolution limit [Å] | 3.300 | 18.070 | 3.300 |
Rmerge | 0.179 | 0.050 | 1.840 |
Rpim | 0.070 | 0.025 | 0.713 |
Total number of observations | 730152 | 2901 | 36672 |
Number of reflections | 97950 | ||
<I/σ(I)> | 10.8 | 23.9 | 1.2 |
Completeness [%] | 100.0 | 93.5 | 100 |
Redundancy | 7.5 | 4.5 | 7.6 |
CC(1/2) | 0.997 | 0.997 | 0.497 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 6.5-7% PEG 4000, 0.4-0.6 M potassium acetate, 0.1 M MES pH 5.75 |