1QHZ
NATIVE TETRAGONAL STRUCTURE OF THE ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1997-11-01 |
Detector | MARRESEARCH |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 74.540, 74.540, 135.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.950 |
R-factor | 0.172 |
Rwork | 0.172 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a3h |
RMSD bond length | 0.008 |
RMSD bond angle | 0.023 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.068 | 0.311 |
Number of reflections | 28709 | |
<I/σ(I)> | 31.15 | 7.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9 | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 | 100 * | PROTEIN (20MGML-1) WAS CRYSTALLISED FROM 28% PEG400 AS PRECIPITANT, 100MM TRIETHANOLAMINE AT PH 7.0 AS BUFFER AND 200 MM CACL2 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG400 | 28 (%) | |
2 | 1 | reservoir | triehanolamine | 100 (mM) | |
3 | 1 | reservoir | calcium chloride | 200 (mM) |