6RO5

1Yr-Y: Lysozyme with Re Cluster 1 year on shelf

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-17
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	37.880, 78.650, 80.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.430 - 1.680
R-factor	0.2425
Rwork	0.241
R-free	0.27270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2w1y
RMSD bond length	0.004
RMSD bond angle	0.671
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.430	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.066
Number of reflections	29804	1421
<I/σ(I)>	14.6	1.2
Completeness [%]	99.9
Redundancy	6.2
CC(1/2)	0.991	0.642

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.7	298	Standard hen egg white lysozyme (20 mg) crystallisation conditions were used of 10% NaCl, NaOAc 0.04 M (pH 4.7) and the fac-[Et4N]2[Re(CO)3(Br)3] at 0.03 M in 1.4 ml water, in sitting drop conditions, initially included with DMSO (at 7.5 % v/v).