2B3Y
Structure of a monoclinic crystal form of human cytosolic aconitase (IRP1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Collection date | 2003-04-05 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.910, 215.470, 64.010 |
Unit cell angles | 90.00, 72.00, 90.00 |
Refinement procedure
Resolution | 29.500 - 1.850 |
R-factor | 0.213 |
Rwork | 0.211 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b3x |
RMSD bond length | 0.011 |
RMSD bond angle | 1.293 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.500 | 2.000 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.063 | 0.262 |
Number of reflections | 138110 | |
<I/σ(I)> | 8.6 | 3 |
Completeness [%] | 99.0 | 92.1 |
Redundancy | 2 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.1 | 293 | pH 8.1, temperature 293K | |
1 | 8.1 | 293 | pH 8.1, temperature 293K | |
1 | 8.1 | 293 | pH 8.1, temperature 293K |