1NAE
Structure of CsCBM6-3 from Clostridium stercorarium in complex with xylotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 29.648, 49.746, 36.082 |
Unit cell angles | 90.00, 93.18, 90.00 |
Refinement procedure
Resolution | 40.000 * - 2.250* |
R-factor | 0.13748 |
Rwork | 0.135 |
R-free | 0.20300 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gmm |
RMSD bond length | 0.018 * |
RMSD bond angle | 1.580 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 * | 2.120 |
High resolution limit [Å] | 2.250 * | 2.250 * |
Rmerge | 0.046 * | 0.141 * |
Number of reflections | 6382 | |
<I/σ(I)> | 12.4 | 5.4 |
Completeness [%] | 94.6 * | 72.1 * |
Redundancy | 8.5 * | 5.0 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | 26%PEG 4K, 0.1 M sodium acetate, pH 4.6, 0.2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 17 (mg/ml) | |
2 | 1 | reservoir | PEG4000 | 26 (%(w/v)) | |
3 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6 |
4 | 1 | reservoir | ammonium sulfate | 0.2 (M) |