5DOT
Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-09 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.96112 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 99.337, 133.482, 142.907 |
Unit cell angles | 90.00, 102.51, 90.00 |
Refinement procedure
Resolution | 43.950 - 2.400 |
R-factor | 0.1662 |
Rwork | 0.165 |
R-free | 0.19640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jdb 2yvq |
RMSD bond length | 0.010 |
RMSD bond angle | 1.293 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 139.516 | 44.494 | 2.530 |
High resolution limit [Å] | 2.400 | 7.590 | 2.400 |
Rmerge | 0.079 | 0.342 | |
Rmeas | 0.135 | ||
Rpim | 0.071 | 0.050 | 0.212 |
Total number of observations | 475967 | 15114 | 59848 |
Number of reflections | 136595 | ||
<I/σ(I)> | 7.9 | 12.8 | 3.7 |
Completeness [%] | 96.3 | 97.1 | 83.4 |
Redundancy | 3.5 | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 294 | 20% PEG3350, 0.2 M tri-sodium citrate |