1YPF
Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-07-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.87000 |
Spacegroup name | P 4 |
Unit cell lengths | 114.676, 114.676, 52.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.850 - 1.800 |
R-factor | 0.17758 |
Rwork | 0.174 |
R-free | 0.23778 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jr1 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.627 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.084 | 0.877 |
Number of reflections | 63577 | |
<I/σ(I)> | 17.1 | 1.6 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 4 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | MPD, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |