1JA0
CYPOR-W677X
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-09-19 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.952, 115.527, 116.951 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.209 * |
Rwork | 0.209 |
R-free | 0.27100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1amo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.600 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.640 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.037 | 0.155 |
Total number of observations | 305661 * | |
Number of reflections | 35363 | |
<I/σ(I)> | 23.1 | 4 |
Completeness [%] | 82.3 | 66.8 |
Redundancy | 7.1 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 4000, Hepes, Sodium Acetate, NADP+, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 18 (%) | |
2 | 1 | reservoir | HEPES | 150 (mM) | pH7.0 |
3 | 1 | reservoir | 150 (mM) | ||
4 | 1 | reservoir | NADP+ | 2-fold molar excess of | |
5 | 1 | drop | HEPES | 50 (mM) | pH7.0 |
6 | 1 | drop | EDTA | 0.1 (mM) | |
7 | 1 | drop | dithiothreitol | 0.1 (mM) | |
8 | 1 | drop | protein | 20 (mg/ml) |