6M2Z

Crystal structure of a formolase, BFD variant M3 from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-26
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	97.964, 101.385, 110.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.500 - 2.350
R-factor	0.1784
Rwork	0.175
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a50
RMSD bond length	0.008
RMSD bond angle	1.532
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.430
High resolution limit [Å]	2.350	5.050	2.350
Rmerge	0.137	0.069	0.763
Rmeas	0.149	0.075	0.837
Rpim	0.059	0.031	0.339
Total number of observations	146939
Number of reflections	23197	2441	2246
<I/σ(I)>	6
Completeness [%]	99.6	99.3	99.5
Redundancy	6.3	6.1	5.8
CC(1/2)		0.995	0.851

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1 M sodium acetate 4.6, 0.1 M sodium chloride, 12 % w/v PEG 6000