7O5W

Crystal structure of holo-F210W mutant of Hydroxy ketone aldolase (SwHKA)from Sphingomonas wittichii RW1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97620
Spacegroup name	H 3
Unit cell lengths	70.996, 70.996, 222.817
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	53.889 - 1.200
Rwork	0.118
R-free	0.14630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6r62
RMSD bond length	0.019
RMSD bond angle	2.019
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.270	74.270	1.220
High resolution limit [Å]	1.200	6.570	1.200
Rmerge	0.078	0.053	0.478
Rmeas	0.087	0.059	0.539
Rpim	0.039	0.026	0.247
Number of reflections	130983	798	6438
<I/σ(I)>	15.5
Completeness [%]	100.0
Redundancy	9.7	10.6	9.5
CC(1/2)	0.999	0.997	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277.15	HEPES, Sodium Citrate