4MX5
Structure of ricin A chain bound with benzyl-(2-(2-amino-4-oxo-3,4-dihydropteridine-7-carboxamido)ethyl)carbamate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.3 |
Synchrotron site | ALS |
Beamline | 5.0.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-13 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97648 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.899, 67.899, 140.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.520 |
R-factor | 0.2165 |
Rwork | 0.215 |
R-free | 0.24510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rtc |
RMSD bond length | 0.029 |
RMSD bond angle | 2.298 |
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] | 50.000 | 50.000 | 1.550 |
High resolution limit [Å] | 1.520 | 4.130 | 1.520 |
Rmerge | 0.115 | 0.066 | 0.942 |
Number of reflections | 52417 | ||
<I/σ(I)> | 9 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 13.4 | 13.1 | 10.7 |
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 |