4QN0

Crystal structure of the CPS-6 mutant Q130K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A
Synchrotron site	NSRRC
Beamline	BL15A
Temperature [K]	200
Detector technology	CCD
Collection date	2013-03-08
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	67.550, 122.442, 73.522
Unit cell angles	90.00, 96.02, 90.00

Refinement procedure

Resolution	26.480 - 2.740
R-factor	0.1886
Rwork	0.185
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s5b
RMSD bond length	0.005
RMSD bond angle	0.927
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8_1059))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.480	50.000	2.800
High resolution limit [Å]	2.740	7.460	2.750
Rmerge	0.095
Number of reflections	29545
<I/σ(I)>	11.49	26.31460674	3.275280899
Completeness [%]	99.7	97.5	100
Redundancy	3.7	3.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	278	0.1M sodium citrate tribasic dihydrate, 18% PEG3350 , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K