5AOU

Structure of the engineered retro-aldolase RA95.5-8F apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-03
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	75.086, 84.762, 37.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.200 - 1.100
R-factor	0.169
Rwork	0.169
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4a2r
RMSD bond length	0.015
RMSD bond angle	2.800
Refinement software	SHELXL

Data quality characteristics

	Overall
Low resolution limit [Å]	56.200
High resolution limit [Å]	1.100
Rmerge	0.070
Number of reflections	167431
<I/σ(I)>	7.96
Completeness [%]	88.8
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	293	0.1M SODIUM ACETATE TRIHYDRATE, 2M AMMONIUM SULFATE, PH 4.6, 20DEGREE CELSIUS