6M2Y

Crystal structure of a formolase, BFD variant M6 from Pseudomonas putida

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	103.515, 106.674, 116.548
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.600 - 2.100
R-factor	0.1558
Rwork	0.154
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a50
RMSD bond length	0.017
RMSD bond angle	2.254
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	2.180
High resolution limit [Å]	2.060	4.520	2.100
Rmerge	0.245	0.084	1.025
Rmeas	0.255	0.088	1.082
Rpim	0.072	0.025	0.342
Number of reflections	39009	4081	3869
<I/σ(I)>	3.5
Completeness [%]	100.0	100	100
Redundancy	12.4	12.5	9.4
CC(1/2)		0.996	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.1 M acetate pH 4.5, 0.2 M NaCl,40% (v/v) PEG-300