4ZCU
Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P2 form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 85 |
Detector technology | CCD |
Collection date | 2013-04-19 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.873 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 76.080, 47.020, 93.240 |
Unit cell angles | 90.00, 108.50, 90.00 |
Refinement procedure
Resolution | 39.393 - 2.100 |
R-factor | 0.2383 |
Rwork | 0.236 |
R-free | 0.27450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n5x |
RMSD bond length | 0.010 |
RMSD bond angle | 0.829 |
Data reduction software | iMOSFLM (7.1.0) |
Data scaling software | Aimless (0.2.14) |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX (1.8.4_1488) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.393 | 39.390 | 2.160 |
High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
Rmerge | 0.119 | 0.022 | 0.958 |
Rpim | 0.079 | 0.015 | 0.633 |
Total number of observations | 118930 | 1537 | 9842 |
Number of reflections | 36885 | ||
<I/σ(I)> | 7.3 | 25.5 | 1.4 |
Completeness [%] | 99.8 | 96.8 | 100 |
Redundancy | 3.2 | 3 | 3.2 |
CC(1/2) | 0.993 | 0.999 | 0.526 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 29% (w/v) PEG 8000, 0.2 M ammonium sulfate |