4DDA
EVAL processed HEWL, NAG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-02-01 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.378, 78.378, 36.581 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.590 - 2.480 |
R-factor | 0.20401 |
Rwork | 0.200 |
R-free | 0.28508 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2w1y |
RMSD bond length | 0.013 |
RMSD bond angle | 2.377 |
Data reduction software | EVAL15 (15) |
Data scaling software | EVAL15 (15) |
Phasing software | PHASER (MR) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.590 | 2.480 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.147 | 0.607 |
Number of reflections | 3494 | |
<I/σ(I)> | 13.6 | 4.02 |
Completeness [%] | 84.8 | 97.3 |
Redundancy | 12.1 | 12.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH | 4.7 | 295 | HEWL co-crystallized with 150 mM excess N-acetylglucosamine in 1 mL 0.05 M sodium acetate and 1 mL 10% sodium chloride, pH 4.7, BATCH, temperature 295K |