5AB3
S.enterica HisA mutant D7N, D10G, dup13-15, Q24L, G102A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-04 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 61.196, 61.196, 391.887 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.109 - 1.803 |
R-factor | 0.1739 |
Rwork | 0.172 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ahf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.097 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.070 | 0.970 |
Number of reflections | 80382 | |
<I/σ(I)> | 15.6 | 2.4 |
Completeness [%] | 99.9 | 88 |
Redundancy | 9.4 | 9.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | P550MME_P20K 30.0%; SODIUM HEPES; MOPS (ACID), 0.1M, PH7.5; MGCL2; CACL2 0.06M |