4BE7
MUTANT (K220R) OF THE HSDR SUBUNIT OF THE ECOR124I RESTRICTION ENZYME IN COMPLEX WITH ATP
Replaces: 2W74Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.045, 124.354, 128.012 |
| Unit cell angles | 90.00, 108.86, 90.00 |
Refinement procedure
| Resolution | 32.358 - 2.744 |
| R-factor | 0.2517 |
| Rwork | 0.249 |
| R-free | 0.29230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w00 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.055 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.000 | 2.870 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rmerge | 0.160 | 0.340 |
| Number of reflections | 63203 | |
| <I/σ(I)> | 7.1 | 1.9 |
| Completeness [%] | 91.5 | 91.5 |
| Redundancy | 2.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1 UL OF PROTEIN IN 20 MM PHOSPHATE PH 7.5, 100 MM KCL, 5 MM ATP WAS MIXED WITH 2 UL OF RESERVOIR, CONTAINING 0.2 M LI2SO4, 8 % PEG 20K, 8 % PEG 550 MME, 1.5 MM DTT, 277 K, SITTING DROP |
