4HUO
Structure of Ricin A chain bound with N-(N-(pterin-7-yl)carbonylglycyl)-L-phenylalanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9202 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.999, 67.999, 140.692 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.220 - 1.520 |
R-factor | 0.2025 |
Rwork | 0.201 |
R-free | 0.23040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rtc |
RMSD bond length | 0.027 |
RMSD bond angle | 2.212 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.220 | 50.000 | 1.550 |
High resolution limit [Å] | 1.520 | 4.130 | 1.520 |
Rmerge | 0.098 | 0.046 | |
Number of reflections | 51425 | ||
<I/σ(I)> | 7.3 | ||
Completeness [%] | 99.8 | 99.8 | 100 |
Redundancy | 13.8 | 13.2 | 13.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 1.3 M Ammonium sulfate, 0.1 M sodium malonate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |