1HQ5
CRYSTAL STRUCTURE OF THE BINUCLEAR MANGANESE METALLOENZYME ARGINASE COMPLEXED WITH S-(2-BORONOETHYL)-L-CYSTEINE, AN L-ARGININE ANALOGUE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-10-13 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 3 |
Unit cell lengths | 91.300, 91.300, 69.400 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.300 |
Rwork | 0.158 |
R-free | 0.19400 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 23.300 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.098 | 0.242 |
Total number of observations | 41944 * | |
Number of reflections | 14462 * | |
<I/σ(I)> | 8 | |
Completeness [%] | 98.1 * | 97.5 |
Redundancy | 2.9 | 2.85 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 4 * | drop consists of equal amounts of protein and precipitant solutions * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | BEC | 3 (mM) | |
3 | 1 | drop | 5 (mM) | ||
4 | 1 | drop | bicine-NaOH | 25 (mM) | |
5 | 1 | reservoir | PEG1500 | 24 (%) | precipitant |
6 | 1 | reservoir | bicine-NaOH | 100 (mM) | precipitant |