2IGB
Crystal Structure of PyrR, The Regulator Of The Pyrimidine Biosynthetic Operon In Bacillus caldolyticus, UMP-bound form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Collection date | 2006-03-22 |
Wavelength(s) | 0.97000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 66.281, 96.752, 63.104 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.310 - 1.680 |
R-factor | 0.18452 |
Rwork | 0.182 |
R-free | 0.22375 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1non |
RMSD bond length | 0.016 |
RMSD bond angle | 1.702 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.740 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.079 | 0.930 |
Number of reflections | 46630 | |
Redundancy | 7 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.1M sodium citrate, 0.2M sodium chloride, 1.0M diammonium hydrogen phosphate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |