7RB5

Room temperature structure of hAChE in complex with substrate analog 4K-TMA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-12-05
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.54
Spacegroup name	P 31 1 2
Unit cell lengths	125.583, 125.583, 131.024
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.160 - 2.800
R-factor	0.1971
Rwork	0.195
R-free	0.23280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6o5r
RMSD bond length	0.005
RMSD bond angle	0.685
Data reduction software	CrysalisPro
Data scaling software	CrysalisPro
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.100	0.566
Number of reflections	28591	2856
<I/σ(I)>	12.6	1.7
Completeness [%]	97.5	97.2
Redundancy	3.5	3.6
CC(1/2)	0.994	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	283	100 mM HEPES, pH 7.5, 10 mM sodium citrate, 6-8% PEG6000