6PA5
ECAII(T89V,K162T) MUTANT IN COMPLEX WITH L-ASN AT PH 8.3 IN SPACE GROUP P2(1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-05 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 140.530, 62.335, 151.047 |
| Unit cell angles | 90.00, 117.68, 90.00 |
Refinement procedure
| Resolution | 26.210 - 2.000 |
| R-factor | 0.1714 |
| Rwork | 0.170 |
| R-free | 0.21370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.972 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
| Rmerge | 0.066 | 0.031 | 0.490 |
| Rmeas | 0.079 | 0.036 | 0.602 |
| Rpim | 0.044 | 0.019 | 0.344 |
| Total number of observations | 442685 | ||
| Number of reflections | 150541 | 8105 | 6741 |
| <I/σ(I)> | 9 | ||
| Completeness [%] | 95.8 | 99.1 | 87.3 |
| Redundancy | 2.9 | 3.5 | 2.5 |
| CC(1/2) | 0.998 | 0.848 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 298 | Crystals grown in 0.17 M NH4-citrate, pH 7.0, 17-18% PEG3350, then soaked for 1 min in 0.1 M Tris, pH 8.3, 19-PEG3350 with 5 mM of L-Asn |
