5CQL
GTB mutant with mercury - E303A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 113 |
Detector technology | IMAGE PLATE |
Collection date | 2011-11-01 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.490, 150.210, 79.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 75.110 - 1.690 |
R-factor | 0.176 |
Rwork | 0.174 |
R-free | 0.20650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz0 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.701 |
Data reduction software | CrystalClear |
Data scaling software | d*TREK |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.110 | |
High resolution limit [Å] | 1.690 | |
Rmerge | 0.044 | 0.291 |
Number of reflections | 33913 | |
<I/σ(I)> | 16.5 | 3.6 |
Completeness [%] | 97.2 | 94.4 |
Redundancy | 4.55 | 3.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 10 ul drops with 6-8 mg/ml protein, 70 mM N-(2-acetamido)-2-iminodiacetic acid (ADA) pH 7.5, 50 mM, sodium acetate pH 4.6, 40 mM NaCl, 5-8 mM MnCl2, 2.5% (v/v) 2-methyl-2,4-pentanediol (MPD), 5%(v/v) glycerol, 2%(w/v) PEG 4000, and 0.3-0.5 mM 3-chloromercuri-2-methoxypropylurea suspended over 1 ml of a resevoir solution: 50 mM ADA pH 7.5, 10 mM MnCl2, 100 mM ammonium sulfate, 5%(v/v) MPD, 10%(v/v) glycerol, and 8-10%(w/v) PEG 4000 |