6JJS

Crystal structure of an enzyme from Penicillium herquei in condition2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-26
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	P 62 2 2
Unit cell lengths	74.617, 74.617, 108.926
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.440 - 1.620
R-factor	0.18627
Rwork	0.185
R-free	0.20229
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c5o
RMSD bond length	0.010
RMSD bond angle	1.499
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.680
High resolution limit [Å]	1.620	3.491	1.620
Rmerge	0.048	0.034	0.463
Rmeas	0.050	0.035	0.474
Rpim	0.011	0.008	0.103
Number of reflections	23321	2424	2286
<I/σ(I)>	19.7
Completeness [%]	99.2	94	100
Redundancy	20	18.2	20.8
CC(1/2)		0.999	0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	PEG4000, 0.1 M Imidazole pH 8.0