6M8F

Engineered sperm whale myoglobin-based carbene transferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9768
Spacegroup name	P 6
Unit cell lengths	90.780, 90.780, 45.580
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.163 - 1.100
R-factor	0.1273
Rwork	0.126
R-free	0.14580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jw8
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.430	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.051	0.448
Rpim	0.025	0.407
Number of reflections	76057	5028
<I/σ(I)>	13.5
Completeness [%]	87.7	40.4
Redundancy	4.3	1.4
CC(1/2)	0.999	0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	A crystal was grown by mixing 1 ul of reservoir buffer (2 M ammonium sulfate, 0.2 M Tris pH 8.6) with 1 ul of protein in buffer (20 mM Tris pH 8.0, 1 mM EDTA). The crystal was cryoprotected by soaking it in a drop containing reservoir buffer supplemented with 25% sucrose for 5 minutes prior to being flash-cooled in liquid nitrogen