3X2I
X-ray structure of PcCel45A N92D apo form at 298K.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 273 |
Detector technology | IMAGE PLATE |
Collection date | 2014-07-31 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.172, 59.027, 64.356 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.501 - 1.600 |
R-factor | 0.1264 |
Rwork | 0.124 |
R-free | 0.15100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.555 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 23719 | |
<I/σ(I)> | 17.4 | 8.3 |
Completeness [%] | 99.2 | 95.3 |
Redundancy | 13.3 | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 65% 3-methyl-1,5-pentanediol, 50 mM Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |